SCHEMBL3380569

SCHEMBL3380569

CC(C)c1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n(CCC(=O)O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.45
MME P08473 1/20 0.42
DHODH Q02127 1/20 0.40
TRPC5 Q9UL62 2/20 0.40
PPARG P37231 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
CTSA P10619 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
AVPR1B P47901 1/20 0.39
KDM5A P29375 1/20 0.39
SERPINE1 P05121 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
BRD4 O60885 2/20 0.38

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
SCHEMBL3475811 0.92 GCGR (0.41) BRD4
SCHEMBL3475796 0.90 TRPC5 (0.46) TRPC5GRIN1GRIN2BKDM5ABRD4
SCHEMBL3347869 0.88 FFAR1 (0.47) FFAR4FFAR1MMEDHODHTRPC5
SCHEMBL3476109 0.87 BRD4 (0.47) TRPC5GRIN1GRIN2BKDM5ABRD4
SCHEMBL3435117 0.86 FFAR1 (0.46) FFAR4FFAR1MMEDHODHTRPC5
SCHEMBL3414007 0.86 KDM5A (0.41) TRPC5GRIN1GRIN2BKDM5ABRD4
SCHEMBL3434810 0.85 SCD (0.46) TRPC5GRIN1GRIN2BAVPR1BEGLN1
SCHEMBL3474855 0.84 ALDH1A1 (0.49) FFAR4FFAR1MMEDHODHTRPC5
SCHEMBL3379857 0.83 KDM5A (0.43) DHODHTRPC5PPARGGRIN1GRIN2B
SCHEMBL3475274 0.83 FFAR1 (0.43) FFAR4FFAR1MMEDHODHTRPC5

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 FFAR4 363/4885FFAR1 283/4885MME 1879/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 FFAR4 363/4885FFAR1 283/4885MME 1879/4885

“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.