SCHEMBL15344964

SCHEMBL15344964

Cc1ccc(C)c(-c2ccc3c(cnn3C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
TGFBR1 P36897 12/20 0.46
MAPK14 Q16539 7/20 0.46
SRC P12931 2/20 0.44
KDM5B Q9UGL1 1/20 0.44
AR P10275 1/20 0.43
APP P05067 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL15332507 0.85 TRPA1 (0.45) TRPA1TGFBR1MAPK14SRCKDM5B
SCHEMBL15341835 0.83 KDM5B (0.48) TRPA1TGFBR1MAPK14SRCKDM5B
SCHEMBL15984817 0.79 TRPA1 (0.53) TRPA1TGFBR1MAPK14ARAPP
SCHEMBL19998605 0.77 TRPA1 (0.51) TRPA1TGFBR1MAPK14ARAPP
SCHEMBL13680555 0.76 TGFBR1 (0.55) TRPA1TGFBR1MAPK14
SCHEMBL15344160 0.75 TRPA1 (0.46) TRPA1TGFBR1MAPK14SRCKDM5B
SCHEMBL15345075 0.74 TRPA1 (0.48) TRPA1SRCKDM5BARAPP
SCHEMBL15344917 0.74 TRPA1 (0.48) TRPA1TGFBR1MAPK14SRCKDM5B
SCHEMBL15344151 0.74 TRPA1 (0.48) TRPA1TGFBR1MAPK14SRCAR
SCHEMBL15345014 0.73 TRPA1 (0.47) TRPA1SRCKDM5BARAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885TGFBR1 4545/4885MAPK14 3189/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885TGFBR1 4545/4885MAPK14 3189/4885

“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.