SCHEMBL2118718

SCHEMBL2118718

O=C(Cl)c1onc(-c2ccc(C(F)(F)F)c(F)c2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.47
KIF11 P52732 8/20 0.44
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39

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
SCHEMBL2118385 0.91 TRPV1 (0.45) TRPV1KIF11CYP11B2CYP11B1
SCHEMBL2120061 0.81 KIF11 (0.45) TRPV1KIF11CYP11B2CYP11B1
SCHEMBL2119933 0.79 TRPV1 (0.58) TRPV1
SCHEMBL2118506 0.77 TRPV1 (0.56) TRPV1
SCHEMBL2118943 0.77 TRPV1 (0.56) TRPV1
SCHEMBL10068660 0.77 TRPV1 (0.56) TRPV1
SCHEMBL2118948 0.77 TRPV1 (0.56) TRPV1
SCHEMBL1686401 0.74 TRPV1 (0.59) TRPV1KIF11
SCHEMBL2118642 0.74 TRPV1 (0.58) TRPV1
SCHEMBL2117473 0.74 ALDH1A1 (0.49) TRPV1KIF11CYP11B2CYP11B1

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 3 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 disclosed
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP 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 1/4885KIF11 3198/4885CYP11B2 1187/4885

“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.