SCHEMBL3375834

SCHEMBL3375834

Cc1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n(CCCC(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
FFAR4 Q5NUL3 6/20 0.40
FFAR1 O14842 4/20 0.40
SCN5A Q14524 2/20 0.39
CYP2C9 P11712 1/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
ALOX5AP P20292 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
GCGR P47871 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
SCHEMBL3381530 0.88 BRD4 (0.45) BRD4
SCHEMBL3473525 0.86 CHEK2 (0.48) FFAR4FFAR1CYP3A4
SCHEMBL3347869 0.85 FFAR1 (0.47) BRD4FFAR4FFAR1PPARG
SCHEMBL3475811 0.82 GCGR (0.41) BRD4GCGR
SCHEMBL3473519 0.81 FFAR1 (0.44) BRD4FFAR4FFAR1PPARG
SCHEMBL3474719 0.80 MCHR1 (0.42) BRD4SCN5A
SCHEMBL3473462 0.80 SMN1; SMN2 (0.47) BRD4SCN5APPARG
SCHEMBL3380300 0.78 KDM4E (0.46) KCNH2EGLN1
SCHEMBL3380246 0.78 HDAC6 (0.56) FFAR4FFAR1CYP2C9PPARGCACNA1C
SCHEMBL3353025 0.77 PPARG (0.45) SCN5APPARG

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
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO 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
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 BRD4 268/4885FFAR4 363/4885FFAR1 283/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 BRD4 268/4885FFAR4 363/4885FFAR1 283/4885

“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.