SCHEMBL10115935

SCHEMBL10115935

CCC(C)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
TRPV3 Q8NET8 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PDE2A O00408 2/20 0.38
P2RX7 Q99572 2/20 0.38
GPR139 Q6DWJ6 1/20 0.37
EPHX2 P34913 1/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
P2RX3 P56373 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL469196 1.00 TRPV4 (0.46) TRPV4TRPV3ALDH1A1PDE2AP2RX7
SCHEMBL14612275 1.00 TRPV4 (0.46) TRPV4TRPV3ALDH1A1PDE2AP2RX7
SCHEMBL19831923 0.86 TRPV4 (0.43) TRPV4TRPV3PDE2AP2RX7GPR139
SCHEMBL15354698 0.84 TRPV4 (0.44) TRPV4TRPV3P2RX7GPR139
SCHEMBL20180478 0.84 TRPV4 (0.44) TRPV4TRPV3P2RX7GPR139
SCHEMBL31477305 0.84 TRPV4 (0.44) TRPV4TRPV3PDE2AP2RX7GPR139
SCHEMBL16449367 0.84 TRPV4 (0.44) TRPV4TRPV3P2RX7GPR139
SCHEMBL14313737 0.84 TRPV4 (0.47) TRPV4TRPV3PDE2AP2RX7
SCHEMBL24974247 0.83 TRPV4 (0.43) TRPV4TRPV3PDE2AP2RX7GPR139
SCHEMBL24973993 0.83 TRPV4 (0.43) TRPV4TRPV3PDE2AP2RX7GPR139

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
US-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 TRPV4 7/4885TRPV3 5/4885ALDH1A1 461/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TRPV4 27/4885TRPV3 19/4885ALDH1A1 2798/4885

“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.