SCHEMBL2117703

SCHEMBL2117703

C[C@H](NC(=O)c1onc(-c2ccc(C(F)(F)F)cc2)c1Cl)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.56
GABRA5 P31644 2/20 0.45
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL2117707 1.00 TRPV1 (0.56) TRPV1GABRA5STAT3STAT1GPBAR1
SCHEMBL10039159 0.89 GABRA5 (0.48) TRPV1GABRA5GPBAR1
SCHEMBL2120123 0.89 TRPV1 (0.52) TRPV1GABRA5
SCHEMBL2120127 0.89 TRPV1 (0.52) TRPV1GABRA5
SCHEMBL2118393 0.88 TRPV1 (0.57) TRPV1STAT3STAT1GPBAR1
SCHEMBL2118396 0.88 TRPV1 (0.57) TRPV1STAT3STAT1GPBAR1
SCHEMBL2117857 0.86 TRPV1 (0.44) TRPV1GABRA5
SCHEMBL2117862 0.86 TRPV1 (0.44) TRPV1GABRA5
SCHEMBL2118870 0.82 TRPV1 (0.62) TRPV1GABRA5STAT3STAT1
SCHEMBL2118874 0.82 TRPV1 (0.62) TRPV1GABRA5STAT3STAT1

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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US claimed
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US disclosed
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US disclosed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO 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 (1 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 TRPV1 1/4885GABRA5 47/4885STAT3 2125/4885

“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.