SCHEMBL766635

SCHEMBL766635

CC[C@H](CO)NC(=O)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 1.00
HDAC4 P56524 4/20 0.48
HDAC6 Q9UBN7 3/20 0.48
KIF11 P52732 2/20 0.38

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
SCHEMBL766636 1.00 TRPV1 (1.00) TRPV1HDAC4HDAC6KIF11
SCHEMBL1686306 0.89 TRPV1 (0.81) TRPV1HDAC4HDAC6KIF11
SCHEMBL1686308 0.89 TRPV1 (0.81) TRPV1HDAC4HDAC6KIF11
SCHEMBL1686328 0.89 TRPV1 (0.79) TRPV1HDAC4HDAC6
SCHEMBL1686326 0.89 TRPV1 (0.79) TRPV1HDAC4HDAC6
SCHEMBL766538 0.86 TRPV1 (1.00) TRPV1HDAC4HDAC6KIF11
SCHEMBL766684 0.86 TRPV1 (1.00) TRPV1HDAC4HDAC6KIF11
SCHEMBL766539 0.86 TRPV1 (1.00) TRPV1HDAC4HDAC6KIF11
SCHEMBL766712 0.85 TRPV1 (1.00) TRPV1HDAC4HDAC6
SCHEMBL766713 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 US disclosed
EP-2393789-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2010091009-A1 ISOXAZOLE-3-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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, TRPV3 TRPV1 1/4885HDAC4 966/4885HDAC6 271/4885

“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.