SCHEMBL7103741

SCHEMBL7103741

O=C(O)Cc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.70
ENPP2 Q13822 3/20 0.57
KMT2A Q03164 2/20 0.50
MGLL Q99685 2/20 0.47
SELP P16109 2/20 0.45
SELE P16581 2/20 0.45
HPSE Q9Y251 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
CASP3 P42574 2/20 0.43
SELL P14151 1/20 0.43
PDE5A O76074 1/20 0.43

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
SCHEMBL5153814 0.88 EPHX2 (0.67) EPHX2ENPP2KMT2AMGLL
SCHEMBL2744086 0.88 EPHX2 (0.73) EPHX2ENPP2KMT2AMGLL
SCHEMBL30877549 0.87 EPHX2 (0.72) EPHX2KMT2AMGLL
SCHEMBL29679600 0.86 EPHX2 (0.60) EPHX2ENPP2KMT2ANR1H4CASP3
SCHEMBL1001375 0.86 EPHX2 (0.60) EPHX2ENPP2KMT2ANR1H4CASP3
SCHEMBL20788951 0.86 EPHX2 (0.65) EPHX2ENPP2KMT2AMGLLCASP3
SCHEMBL28865314 0.85 EPHX2 (0.64) EPHX2ENPP2KMT2AMGLLCASP3
SCHEMBL30051640 0.85 EPHX2 (0.64) EPHX2ENPP2KMT2AMGLLCASP3
SCHEMBL8366872 0.85 EPHX2 (0.75) EPHX2KMT2ACASP3
SCHEMBL30422053 0.83 KMT2A (0.56) EPHX2ENPP2KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131658-B2 Anti-alphavbeta1 integrin compounds and methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-11-20 US disclosed
US-20180312500-A9 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-11-01 US disclosed
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS UNIV CALIFORNIA (US) 2016-12-29 US disclosed
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS UNIV CALIFORNIA (US) 2016-12-29 US disclosed
EP-3052515-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS The Regents of the University of California (US) 2016-08-10 EP disclosed
WO-2015048819-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-02 WO disclosed
WO-2015048819-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-02 WO disclosed
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT (FR) 2012-12-06 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 US disclosed
US-6649613-B1 Integrin inhibitors MERCK PATENT GMBH (DE) 2003-11-18 US disclosed
EP-1194401-B1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-09-10 EP disclosed
EP-1194401-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
US-6326403-B1 CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT (DE) 2001-12-04 US disclosed
CN-1309633-A Diacylhydrazine derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2001-08-22 CN disclosed
WO-2001005753-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-01-25 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 (4 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-20180312500-A9 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS ITGB1, ITGAV, ITGA1 EPHX2 2825/4885ENPP2 427/4885KMT2A 3854/4885
US-20120309674-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS MMP3, MMP11, TIMP3 EPHX2 581/4885ENPP2 84/4885KMT2A 3532/4885
US-10131658-B2 Anti-alphavbeta1 integrin compounds and methods ITGB1, ITGAV, ITGA1 EPHX2 2825/4885ENPP2 427/4885KMT2A 3854/4885
US-20160376266-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS ITGB1, ITGAV, ITGA1 EPHX2 2825/4885ENPP2 427/4885KMT2A 3854/4885

“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.