SCHEMBL2118874

SCHEMBL2118874

CCC(CO)NC(=O)c1onc(-c2ccc(C(F)(F)F)cc2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.62
HDAC4 P56524 3/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HPGD P15428 1/20 0.41
TRPV3 Q8NET8 2/20 0.41
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
GABRA5 P31644 2/20 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
SCHEMBL2118870 1.00 TRPV1 (0.62) TRPV1HDAC4HDAC6HPGDTRPV3
SCHEMBL1686892 0.83 TRPV1 (0.77) TRPV1HDAC4HDAC6
SCHEMBL1686894 0.83 TRPV1 (0.77) TRPV1HDAC4HDAC6
SCHEMBL2117707 0.82 TRPV1 (0.56) TRPV1STAT3STAT1GABRA5
SCHEMBL2118396 0.82 TRPV1 (0.57) TRPV1STAT3STAT1
SCHEMBL2118393 0.82 TRPV1 (0.57) TRPV1STAT3STAT1
SCHEMBL2117703 0.82 TRPV1 (0.56) TRPV1STAT3STAT1GABRA5
SCHEMBL3713844 0.79 TRPV1 (0.54) TRPV1HDAC4HDAC6STAT3STAT1
SCHEMBL766712 0.77 TRPV1 (1.00) TRPV1HDAC4HDAC6
SCHEMBL766713 0.77 TRPV1 (1.00) TRPV1HDAC4HDAC6

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 2 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

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 1/4885HDAC4 879/4885HDAC6 228/4885

“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.