SCHEMBL15340896

SCHEMBL15340896

CC(C)c1cncc(-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
APP P05067 1/20 0.41
FAAH O00519 2/20 0.40
AR P10275 3/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
SRC P12931 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
SCHEMBL15340863 0.84 TRPA1 (0.49) TRPA1KDM5BTLR9TLR8TLR7
SCHEMBL15344153 0.81 TRPA1 (0.48) TRPA1KDM5BCYP11B2CYP11B1CCNC
SCHEMBL20004107 0.79 TRPA1 (0.50) TRPA1CYP11B2CYP11B1CCNCCDK8
SCHEMBL5999129 0.78 PLA2G7 (0.43) TRPA1KDM5BTLR9TLR8TLR7
SCHEMBL15341757 0.78 TRPA1 (0.43) TRPA1KDM5BCYP11B2CCNCCDK8
SCHEMBL15341819 0.77 TRPA1 (0.48) TRPA1KDM5BCCNCCDK8TLR9
SCHEMBL15340894 0.76 TRPA1 (0.44) TRPA1KDM5BCCNCCDK8TLR9
SCHEMBL15340902 0.75 KDM5B (0.46) TRPA1KDM5BCCNCCDK8TLR9
SCHEMBL15341817 0.75 KDM5B (0.46) TRPA1KDM5BCCNCCDK8TLR9
SCHEMBL29304447 0.74 TRPA1 (0.48) TRPA1KDM5BCCNCCDK8TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885KDM5B 3695/4885CYP11B2 19/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885KDM5B 4421/4885CYP11B2 21/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885KDM5B 3695/4885CYP11B2 19/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885KDM5B 3695/4885CYP11B2 19/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885KDM5B 4421/4885CYP11B2 21/4885

“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.