SCHEMBL317040

SCHEMBL317040

C[C@@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL205894 1.00 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL630728 1.00 MEN1 (0.47) MEN1KMT2ANPSR1
SCHEMBL630719 0.96 MEN1 (0.46) MEN1KMT2ANPSR1
SCHEMBL630773 0.92 MEN1 (0.49) MEN1KMT2ANPSR1
SCHEMBL7245273 0.92 MEN1 (0.49) MEN1KMT2ANPSR1
SCHEMBL205419 0.90 ALDH1A1 (0.45)
SCHEMBL205549 0.88
SCHEMBL10039818 0.88
SCHEMBL30578076 0.88
SCHEMBL8217889 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759524-B2 Mitochondrially targeted PARP inhibitor, and uses thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-09-19 US disclosed
US-20210379191-A1 Mitochondrially Targeted PARP Inhibitor, and Uses Thereof UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-12-09 US disclosed
US-11090389-B2 Mitochondrially targeted PARP inhibitor, and uses thereof University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-08-17 US disclosed
US-20200038518-A1 Mitochondrially Targeted PARP Inhibitor, and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 US disclosed
WO-2018071761-A1 MITOCHONDRIALLY TARGETED PARP INHIBITOR, AND USES THEREOF UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-04-19 WO disclosed
CN-103702981-B Process for producing optically active 2-methylproline derivative KANEKA CORP. (JP) 2015-11-25 CN disclosed
US-20150218146-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBVIE DEUTSCHLAND (DE) 2015-08-06 US disclosed
US-20150218146-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBVIE DEUTSCHLAND (DE) 2015-08-06 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
CN-104220429-A Non-systemic tgr5 agonists ARDELYX INC 2014-12-17 CN disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
EP-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed
WO-2008081910-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-10 WO disclosed
EP-1869011-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-26 EP disclosed
WO-2007063123-A1 SUBSTITUTED OXINDOL-DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2007-06-07 WO disclosed
WO-2006110816-A2 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 US disclosed
EP-0210065-A1 6-Alkylidene penems BEECHAM GROUP PLC (GB) 1987-01-28 EP 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 (8 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR MEN1 672/4885KMT2A 1662/4885NPSR1 347/4885
US-20150218146-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING SAID DERIVATIVES AND USE THEREOF AVPR2, AVPR1B, AVPR1A MEN1 286/4885KMT2A 3910/4885NPSR1 39/4885
US-11759524-B2 Mitochondrially targeted PARP inhibitor, and uses thereof PARP1, PARP2, PARP3 MEN1 2455/4885KMT2A 1643/4885NPSR1 4641/4885
US-20200038518-A1 Mitochondrially Targeted PARP Inhibitor, and Uses Thereof PARP1, PARP2, PARP3 MEN1 2455/4885KMT2A 1643/4885NPSR1 4641/4885
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 MEN1 3180/4885KMT2A 904/4885NPSR1 2770/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 MEN1 3097/4885KMT2A 595/4885NPSR1 4421/4885
US-20210379191-A1 Mitochondrially Targeted PARP Inhibitor, and Uses Thereof PARP1, PARP2, PARP3 MEN1 2455/4885KMT2A 1643/4885NPSR1 4641/4885
US-11090389-B2 Mitochondrially targeted PARP inhibitor, and uses thereof PARP1, PARP2, PARP3 MEN1 2455/4885KMT2A 1643/4885NPSR1 4641/4885

“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.