SCHEMBL3473464

SCHEMBL3473464

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.51
TRPC5 Q9UL62 2/20 0.42
TRPA1 O75762 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
BRD4 O60885 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
PIM1 P11309 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL3376765 0.88 TRPC5 (0.46) TRPC5GRIN1GRIN2BBRD4
SCHEMBL3434810 0.87 SCD (0.46) SCDTRPC5TRPA1GRIN1GRIN2B
SCHEMBL15147720 0.86 SCD (0.51) SCDGRIN2B
SCHEMBL3347693 0.85 SCD (0.57) SCDBRD4
SCHEMBL3435117 0.85 FFAR1 (0.46) TRPC5TRPA1GRIN1GRIN2BBRD4
SCHEMBL3473519 0.83 FFAR1 (0.44) TRPC5GRIN1GRIN2BBRD4
SCHEMBL3473822 0.83 FFAR1 (0.43)
SCHEMBL3377379 0.83 BRD4 (0.48) TRPC5GRIN1GRIN2BBRD4PIM1
SCHEMBL3473476 0.81 ALDH1A1 (0.41) SCDTRPC5GRIN1GRIN2BBRD4
SCHEMBL3377951 0.80 MAPK14 (0.45) TRPC5TRPA1GRIN1GRIN2B

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 10 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-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-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
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 44/4885TRPA1 46/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCD 2432/4885TRPC5 44/4885TRPA1 46/4885

“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.