SCHEMBL766496

SCHEMBL766496

CCOC(=O)c1noc(-c2ccc(C(F)(F)F)c(F)c2)c1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.55
MLYCD O95822 1/20 0.46
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KIF11 P52732 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 2/20 0.39
EPHX2 P34913 1/20 0.39
TDP2 O95551 1/20 0.39
P2RX7 Q99572 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
SCHEMBL766700 0.87 TRPV1 (0.54) TRPV1MLYCDCYP11B1CYP11B2ALDH1A1
SCHEMBL13257566 0.87 TRPV1 (0.54) TRPV1MLYCDCYP11B1CYP11B2ALDH1A1
SCHEMBL1686549 0.84 TRPV1 (0.59) TRPV1CYP11B1CYP11B2KIF11P2RX7
SCHEMBL1686447 0.83 TRPV1 (0.61) TRPV1CYP11B1CYP11B2KIF11P2RX7
SCHEMBL766527 0.82 MLYCD (0.56) TRPV1MLYCDMAPT
SCHEMBL15464639 0.81 USP2 (0.44) MLYCDCYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL1686553 0.79 TRPV1 (0.62) TRPV1CYP11B1CYP11B2KIF11HDAC4
SCHEMBL1686298 0.79 NOTUM (0.55) CYP11B1CYP11B2ALDH1A1L3MBTL1KIF11
SCHEMBL13256981 0.79 HTT (0.55) MLYCDALDH1A1L3MBTL1USP2POLB
SCHEMBL1686306 0.78 TRPV1 (0.81) TRPV1KIF11HDAC4HDAC6P2RX7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211927-B2 5-phenyl-isoxazole-3-carboxamide derivatives as TRPV1 modulators MSD, Oss B.V. (NL) 2012-07-03 US disclosed
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 US disclosed
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 US disclosed
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
EP-2185530-B1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS ORGANON NV (NL) 2011-09-14 EP disclosed
US-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon and Pharmacopeia, LLC (NL) 2011-03-17 US disclosed
WO-2010091009-A1 ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO disclosed
EP-2185530-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon (NL) 2010-05-19 EP disclosed
WO-2009016241-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. ORGANON (NL) 2009-02-05 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 (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-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS TRPV1, TRPV5, TRPV3 TRPV1 1/4885MLYCD 3060/4885CYP11B1 2362/4885
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, TRPV3 TRPV1 1/4885MLYCD 2174/4885CYP11B1 2034/4885

“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.