Sugi Predict

Sugi Predict / Compounds / SCHEMBL6284659

SCHEMBL6284659

SCHEMBL6284659

FC(F)(F)Oc1cccc(OC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.47
▸ CETP P11597 2/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ ABHD6 Q9BV23 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ GALR2 O43603 1/20 0.40
▸ GALR1 P47211 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22702905 0.95 MGLL (0.46) PDK2CETPMGLLABHD6TAS1R3
SCHEMBL6411918 0.91 EPHX2 (0.48) MGLLABHD6TAS1R3TAS1R1TAS1R2
SCHEMBL11663045 0.86 SLC6A4 (0.47) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL29995496 0.84 HRH1 (0.57) MGLLABHD6EPHX2SLC6A2SLC6A4
SCHEMBL2296998 0.84 MGLL (0.44) MGLLABHD6TAS1R3TAS1R1TAS1R2
SCHEMBL941224 0.84 HRH1 (0.57) MGLLABHD6EPHX2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1807503 0.83 HRH1 (0.56) MGLLABHD6EPHX2SLC6A2SLC6A4
SCHEMBL15649731 0.82 CHRNB2 (0.53) SLC6A2SLC6A4
SCHEMBL18960369 0.80 EPHX2 (0.48) PDK2EPHX2EPHX1
SCHEMBL2303709 0.80 MGLL (0.45) MGLLABHD6EPHX2SLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 — — US claimed
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 — — US claimed
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-08-19 — — US claimed
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 — — US claimed
JP-2004505014-A — — 2004-02-19 — — JP claimed
US-20040006227-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-01-08 — — US claimed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 — — US claimed
US-20030225086-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade SOUTH MICHAEL S (US) 2003-12-04 — — US claimed
US-20030216451-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-11-20 — — US claimed
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-10-09 — — US claimed
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-02-28 — — US claimed
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHAMACIA CORPORATION 2002-02-21 — — US claimed
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-01-24 — — US claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 — — WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 — — WO claimed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 — — US claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040006227-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 PDK2 943/4885CETP 1626/4885MGLL 3406/4885
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 PDK2 815/4885CETP 2533/4885MGLL 2930/4885
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP PDK2 4637/4885CETP 1/4885MGLL 182/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP PDK2 4637/4885CETP 1/4885MGLL 182/4885
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT PDK2 2114/4885CETP 1475/4885MGLL 2797/4885
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 PDK2 1239/4885CETP 2169/4885MGLL 3523/4885
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 PDK2 1239/4885CETP 2169/4885MGLL 3523/4885
US-20030225086-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 PDK2 1239/4885CETP 2169/4885MGLL 3523/4885
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 PDK2 1239/4885CETP 2169/4885MGLL 3523/4885
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT PDK2 2114/4885CETP 1475/4885MGLL 2797/4885
US-20030216451-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 PDK2 943/4885CETP 1626/4885MGLL 3406/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT PDK2 2114/4885CETP 1475/4885MGLL 2797/4885
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 PDK2 943/4885CETP 1626/4885MGLL 3406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.