SCHEMBL2591014

SCHEMBL2591014

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.58
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.49
PIN1 Q13526 1/20 0.48
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL29670320 1.00 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL2591012 1.00 CASP3 (0.58) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL17020410 0.95 CASP3 (0.62) CASP3KMT2AEPHX2PIN1
SCHEMBL17020411 0.92 CASP3 (0.53) CASP3KMT2AEPHX2
SCHEMBL30725734 0.91 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL7317762 0.91 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL7317767 0.91 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL7390390 0.91 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL17256589 0.91 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4
SCHEMBL29398871 0.91 CASP3 (0.52) CASP3KMT2AEPHX2PIN1MDM4

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272006-A1 PEPTIDOMIMETICS AND METHOD OF SYNTHESIS THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-08-31 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227961-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-9205124-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-20150011754-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-08 US disclosed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
EP-2242752-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-27 EP disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-7687456-B2 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2010-03-30 US disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090203698-A1 Compounds for Enzyme Inhibition PROTEOLIX, INC. (US) 2009-08-13 US disclosed
EP-2049522-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20070105786-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-05-10 US 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 (10 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-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CASP3 1157/4885KMT2A 4516/4885EPHX2 2195/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CASP3 1157/4885KMT2A 4516/4885EPHX2 2195/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CASP3 1157/4885KMT2A 4516/4885EPHX2 2195/4885
US-20070105786-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, PSMB1, PSMB3 CASP3 336/4885KMT2A 3318/4885EPHX2 411/4885
US-20230272006-A1 PEPTIDOMIMETICS AND METHOD OF SYNTHESIS THEREOF GMPS, PAM, SRM CASP3 3199/4885KMT2A 3273/4885EPHX2 616/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CASP3 1157/4885KMT2A 4516/4885EPHX2 2195/4885
US-20150011754-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CASP3 1157/4885KMT2A 4516/4885EPHX2 2195/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CASP3 1157/4885KMT2A 4516/4885EPHX2 2195/4885
US-20090203698-A1 Compounds for Enzyme Inhibition ANPEP, HPN, DNPEP CASP3 711/4885KMT2A 3038/4885EPHX2 169/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CASP3 1157/4885KMT2A 4516/4885EPHX2 2195/4885

“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.