SCHEMBL95319

SCHEMBL95319

OCc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.61
PTPN1 P18031 2/20 0.61
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
KIF11 P52732 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.37
FTO Q9C0B1 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
KCNK2 O95069 1/20 0.36
KCNK10 P57789 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3630994 0.83 PTPRZ1 (0.57) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL18998006 0.81 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6001747 0.81 PTPRZ1 (0.65) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL5404852 0.77 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL22105757 0.77 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL257111 0.77 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL7053864 0.77 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL697792 0.77 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL712441 0.77 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL95318 0.77 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341546-B Preparation method of fluorinated biomass membrane material 北京化工大学 2022-07-05 CN claimed
CN-112341546-A Preparation method of fluorinated biomass membrane material 北京化工大学 2021-02-09 CN claimed
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US claimed
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 US claimed
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-14 US claimed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 US claimed
US-6861561-B2 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G. D. SEARLE & CO. (US) 2005-03-01 US claimed
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-02-24 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-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-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
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-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP 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-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL 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 (4 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-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 PTPRZ1 2147/4885PTPN1 1863/4885ALDH1A1 3342/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP PTPRZ1 4260/4885PTPN1 3426/4885ALDH1A1 2624/4885
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT PTPRZ1 2369/4885PTPN1 1340/4885ALDH1A1 2284/4885
US-20050043313-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT PTPRZ1 2517/4885PTPN1 2566/4885ALDH1A1 3516/4885

“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.