Sugi Predict

Sugi Predict / Compounds / SCHEMBL3380246

SCHEMBL3380246

SCHEMBL3380246

Cn1c(=O)c(CCC(=O)O)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ FFAR1 O14842 3/20 0.40
▸ FFAR4 Q5NUL3 3/20 0.40
▸ GCGR P47871 2/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39

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
SCHEMBL3402311 0.89 HDAC6 (0.43) HDAC6KDM4EALDH1A1TP53PPARG
SCHEMBL3377915 0.86 CYP1A2 (0.45) HDAC6ALDH1A1TP53HPGDHSD17B10
SCHEMBL3353025 0.83 PPARG (0.45) PPARGIDH1SERPINE1
SCHEMBL3431393 0.82 SERPINE1 (0.43) HDAC6PPARGSERPINE1
SCHEMBL3435619 0.82 TDP2 (0.40) PPARGGCGR
SCHEMBL3346365 0.80 TDP2 (0.43) PPARG
SCHEMBL3474761 0.80 CHRM5 (0.40) PDE2A
SCHEMBL13338351 0.79 PPARG (0.41) PPARGGSK3BSERPINE1
SCHEMBL3352916 0.79 ELANE (0.45) POLBPPARGGSK3BIDH1
SCHEMBL3473462 0.79 SMN1; SMN2 (0.47) KDM4EALDH1A1POLBHPGDPPARG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 — — US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 — — US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 — — US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 — — US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 — — WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 — — US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 HDAC6 1295/4885KDM4E 1283/4885ALDH1A1 503/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 HDAC6 1295/4885KDM4E 1283/4885ALDH1A1 503/4885

“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.