SCHEMBL15344972

SCHEMBL15344972

Cc1cnc(C)c(-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
AR P10275 3/20 0.46
USP7 Q93009 1/20 0.46
APP P05067 1/20 0.45
CCNC P24863 4/20 0.44
CDK8 P49336 4/20 0.44
ABL1 P00519 1/20 0.42
FAAH O00519 1/20 0.41
CREBBP Q92793 2/20 0.41
POLQ O75417 1/20 0.41
SRC P12931 2/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
BRAF P15056 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL15333507 0.86 TRPA1 (0.50) TRPA1ARUSP7APPCCNC
SCHEMBL15341819 0.83 TRPA1 (0.48) TRPA1ARUSP7APPCCNC
SCHEMBL19998599 0.78 TRPA1 (0.48) TRPA1ARUSP7APPABL1
SCHEMBL15345014 0.78 TRPA1 (0.47) TRPA1ARUSP7APPCCNC
SCHEMBL15984817 0.78 TRPA1 (0.53) TRPA1ARUSP7APPCCNC
SCHEMBL15342520 0.78 TRPA1 (0.46) TRPA1ARUSP7APPCCNC
SCHEMBL15344153 0.76 TRPA1 (0.48) TRPA1ARUSP7APPCCNC
SCHEMBL17547049 0.75 TRPA1 (0.45) TRPA1ARUSP7APPCCNC
SCHEMBL15345076 0.75 KCNH2 (0.35) TRPA1ARAPP
SCHEMBL15332540 0.75 TRPA1 (0.45) TRPA1ARUSP7APPCCNC

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 4316/4885AR 1982/4885USP7 4489/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885AR 1982/4885USP7 4489/4885

“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.