SCHEMBL3199882

SCHEMBL3199882

O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.59
KMT2A Q03164 2/20 0.53
MDM4 O15151 1/20 0.48
TP53 P04637 1/20 0.48
EPHX2 P34913 1/20 0.48
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44

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
SCHEMBL29624364 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3835254 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3199894 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31299005 1.00 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL26654416 0.99 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL26654411 0.99 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL5846051 0.93 CASP3 (0.55) CASP3KMT2AMDM4TP53
SCHEMBL3230119 0.92 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL7198189 0.92 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL3725037 0.92 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440051-B1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RES TRIANGLE INST (US) 2024-03-20 EP disclosed
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists RESEARCH TRIANGLE INSTITUTE (US) 2021-10-12 US disclosed
US-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 US disclosed
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-8673904-B2 Epoxide inhibitors of cysteine proteases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-18 US disclosed
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-10-04 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101511783-A N-biaryl (hetero) arylsulphonamide derivatives useful in the treatment of diseases mediated by lymphocytes interactions NOVARTIS AG (CH) 2009-08-19 CN disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 US disclosed
US-7094911-B2 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2006-08-22 US disclosed
EP-1140809-B1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER HEALTHCARE AG (DE) 2005-08-31 EP disclosed
US-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6677360-B2 TREATMENT AND PROPHYLAXIS OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOPOROSIS AND EYE DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
US-6420396-B1 TREATMENT OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOLYTIC DISORDERS, OPHTHALMIC DISORDERS, AND THEIR USE AS INTEGRIN ANTAGONISTS. INHIBITING ANGIOGENESIS BEIERSDORF AG (DE) 2002-07-16 US disclosed
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
EP-1140809-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2000035864-A1 NEW BIPHENYL AND BIPHENYL-ANALOGOUS COMPOUNDS AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 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 (7 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-20040030132-A1 New biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB2, ITGB1, ITGB3 CASP3 1876/4885KMT2A 2495/4885MDM4 4228/4885
US-20190092809-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NPSR1, GRPR, NPBWR1 CASP3 3390/4885KMT2A 2088/4885MDM4 4720/4885
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 CASP3 1659/4885KMT2A 2324/4885MDM4 4085/4885
US-11142546-B2 Neuropeptide S receptor (NPSR) agonists NPSR1, GRPR, NPBWR1 CASP3 3390/4885KMT2A 2088/4885MDM4 4720/4885
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS CASP3 104/4885KMT2A 2404/4885MDM4 4541/4885
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN ENGASE, LGMN, DNPEP CASP3 1732/4885KMT2A 3516/4885MDM4 3624/4885
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX CASP3 1182/4885KMT2A 4242/4885MDM4 4374/4885

“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.