SCHEMBL3434810

SCHEMBL3434810

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.46
TRPC5 Q9UL62 2/20 0.41
MAP4K1 Q92918 1/20 0.39
TRPA1 O75762 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
AVPR1B P47901 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TRPV3 Q8NET8 1/20 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
SCHEMBL3474513 0.92 SCD (0.44) SCD
SCHEMBL3475796 0.88 TRPC5 (0.46) TRPC5MAP4K1GRIN1GRIN2BTRPV3
SCHEMBL3473464 0.87 SCD (0.51) SCDTRPC5TRPA1SUCNR1GRIN1
SCHEMBL3380569 0.85 FFAR4 (0.45) TRPC5AVPR1BGRIN1GRIN2BEGLN1
SCHEMBL3476109 0.83 BRD4 (0.47) TRPC5GRIN1GRIN2B
SCHEMBL3414007 0.82 KDM5A (0.41) TRPC5MAP4K1GRIN1GRIN2BTRPV3
SCHEMBL3379857 0.80 KDM5A (0.43) TRPC5MAP4K1TRPA1GRIN1GRIN2B
SCHEMBL3434978 0.79 AAK1 (0.42)
SCHEMBL3347693 0.79 SCD (0.57) SCDEGLN1
SCHEMBL3475811 0.77 GCGR (0.41)

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 SCD 2432/4885TRPC5 44/4885MAP4K1 1172/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCD 2432/4885TRPC5 44/4885MAP4K1 1172/4885

“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.