SCHEMBL1686554

SCHEMBL1686554

CCc1c(C(=O)O)noc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV1 Q8NER1 5/20 0.42
DUSP3 P51452 2/20 0.41
DHODH Q02127 1/20 0.40
ALOX5 P09917 1/20 0.39
ALOX5AP P20292 1/20 0.39
MAPT P10636 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
GABRA5 P31644 1/20 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
SCHEMBL2564471 0.86 PTPN1 (0.61) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1686474 0.85 PTPN1 (0.45) PTPN1ALDH1A1SMN1; SMN2TRPV1DUSP3
SCHEMBL1686409 0.85 ALOX5AP (0.50) PTPN1ALDH1A1SMN1; SMN2TRPV1DUSP3
SCHEMBL1686288 0.85 TRPV1 (0.56) TRPV1
SCHEMBL1686287 0.82 TRPV1 (0.48) PTPN1SMN1; SMN2TRPV1ALOX5ALOX5AP
SCHEMBL11902236 0.80 PTPN1 (0.51) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1686323 0.79 KMO (0.45) PTPN1DUSP3
SCHEMBL1686437 0.77 TRPV1 (0.60) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1686419 0.77 TRPV1 (0.55) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11384353 0.77 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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 5 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
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
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 (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-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS TRPV1, TRPV5, TRPV3 PTPN1 1569/4885MEN1 4866/4885KMT2A 3174/4885

“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.