SCHEMBL91243

SCHEMBL91243

C=C(CCC)[C@@H](N)CCSC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
RNPEP Q9H4A4 1/20 0.31

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
SCHEMBL13191824 0.89 ANPEP (0.35) ANPEPENPEP
SCHEMBL12128370 0.87 ANPEP (0.34) ANPEPENPEP
SCHEMBL13754602 0.85 SPHK1 (0.35) ANPEPENPEP
SCHEMBL804904 0.83 ANPEP (0.40) ANPEPENPEPRNPEP
SCHEMBL16215356 0.82 ANPEP (0.36) ANPEPENPEPRNPEP
SCHEMBL12928341 0.81 ANPEP (0.35) ANPEPENPEP
SCHEMBL10049243 0.79 ANPEP (0.40) ANPEPENPEPRNPEP
SCHEMBL12112882 0.79 ANPEP (0.40) ANPEPENPEPRNPEP
SCHEMBL15507424 0.78 ANPEP (0.39) ANPEPENPEPRNPEP
SCHEMBL13578970 0.78 ANPEP (0.39) ANPEPENPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 WO disclosed
US-20170174763-A1 NOGO Receptor-Mediated Blockade of Axonal Growth YALE UNIVERSITY 2017-06-22 US disclosed
US-20170014416-A1 Compositions And Methods For Treatment Of Psychiatric Disorders DUNN ROBERT T (US) 2017-01-19 US disclosed
US-9539553-B2 Corona-core microgel emulsifying agent and oil-in-water emulsified composition SHISEIDO COMPANY, LTD. (JP) 2017-01-10 US disclosed
US-9290765-B2 Protection against endothelial barrier dysfunction through inhibition of the tyrosine kinase abl-related gene (ARG) VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2016-03-22 US disclosed
US-20160078190-A1 REPORTING MODULES DEXCOM, INC. 2016-03-17 US disclosed
US-9274132-B2 Assay cartridge with reaction well BECKMAN COULTER, INC. (US) 2016-03-01 US disclosed
WO-2015181186-A1 1 -(CYCLOPENT-2-EN-1 -YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
US-9073975-B2 Cyclic peptides, their preparation and their use as inhibitors of the platelet adhesion SANOFI (FR) 2015-07-07 US disclosed
US-20150044317-A1 Topical Compositions for Reducing Visible Signs of Aging and Methods of Use Thereof GANEDEN BIOTECH, INC. 2015-02-12 US disclosed
US-7838250-B1 Mixture comprising cardiac muscle protein specific immunoglobulin for use diagnosing/prognosing cardiovascular disorders SINGULEX, INC. (US) 2010-11-23 US disclosed
US-7809060-B2 Moving picture stream generation apparatus, moving picture coding apparatus, moving picture multiplexing apparatus and moving picture decoding apparatus PANASONIC CORPORATION (JP) 2010-10-05 US disclosed
US-20100179119-A1 Inhibitors of Integrin Alpha2Beta1 Based on Prolyl Diaminopropionic Acid Scaffold NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-07-15 US disclosed
US-20090319212-A1 MAGNETIC CRASH SENSOR TK HOLDINGS, INC. (US) 2009-12-24 US disclosed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US disclosed
US-20080261242-A1 Mixture comprising cardiac muscle protein specific immunoglobulin for use diagnosing/prognosing cardiovascular disorders SINGULEX, INC. 2008-10-23 US disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
WO-2007093012-A1 CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES MONASH UNIVERSITY (AU) 2007-08-23 WO disclosed
US-7244621-B2 Method for interpreting tandem mass spectrometry data for clinical diagnosis of genetic disorders such as hypermethionemia PEDIATRIX SCREENING, INC. (US) 2007-07-17 US disclosed
US-7238531-B2 Method for interpreting tandem mass spectrometry data for clinical diagnosis PEDIATRIX SCREENING, INC. (US) 2007-07-03 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 (3 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-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA ANPEP 481/4885ENPEP 296/4885RNPEP 279/4885
US-20100179119-A1 Inhibitors of Integrin Alpha2Beta1 Based on Prolyl Diaminopropionic Acid Scaffold ITGA2B, ITGA2, ITGB2 ANPEP 581/4885ENPEP 1421/4885RNPEP 442/4885
US-20170014416-A1 Compositions And Methods For Treatment Of Psychiatric Disorders BHMT, SLC6A12, BHMT2 ANPEP 3603/4885ENPEP 1388/4885RNPEP 2099/4885

“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.