SCHEMBL4465251

SCHEMBL4465251

CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.67
CA2 P00918 2/20 0.67
CTSB P07858 2/20 0.67
CA1 P00915 2/20 0.67
CTSS P25774 1/20 0.67
CTSK P43235 1/20 0.67
GRN P28799 4/20 0.65
SORT1 Q99523 4/20 0.65
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
MME P08473 1/20 0.56
DGAT1 O75907 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
PSMB5 P28074 2/20 0.56

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
SCHEMBL2158900 1.00 CTSL (0.67) CTSLCA2CTSBCA1CTSS
SCHEMBL2158906 1.00 CTSL (0.67) CTSLCA2CTSBCA1CTSS
SCHEMBL20277660 0.88 CTSL (0.65) CTSLCA2CTSBCA1CTSS
SCHEMBL1640054 0.88 NAALAD2 (0.58) CTSLCA2CTSBCA1CTSS
SCHEMBL9830474 0.87 PSMB5 (0.72) CTSLCTSBCTSSCTSKMME
SCHEMBL9830466 0.87 PSMB5 (0.72) CTSLCTSBCTSSCTSKMME
SCHEMBL4160513 0.87 CA2 (0.68) CTSLCA2CTSBCA1CTSS
SCHEMBL31611853 0.87 CA2 (0.68) CTSLCA2CTSBCA1CTSS
SCHEMBL17822178 0.87 HPGDS (0.65) CTSLCA2CTSBCA1CTSS
SCHEMBL7432512 0.87 CTSL (0.63) CTSLCA2CTSBCA1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1634892-A Method for resolution of isoquinolines XUZHOU NHWA PHARM GROUP CO LTD (CN) 2005-07-06 CN claimed
EP-3466961-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Li, Min (US) 2019-04-10 EP disclosed
US-9434760-B2 Prolinamide derivatives as thrombin inhibitors, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-09-06 US disclosed
EP-2824097-A1 Prolinamide derivative as thrombin inhibitor, preparation method and application thereof Shanghai Institute of Pharmaceutical Industry (CN) 2015-01-14 EP disclosed
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-11-07 US disclosed
EP-2639230-A1 PROLINAMIDE DERIVATIVE AS THROMBIN INHIBITOR, PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2013-09-18 EP disclosed
CN-102464701-A Novel compound, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2012-05-23 CN disclosed
US-20090042260-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE (S OR R)-ALPHA-AMINO ACID AND OPTICALLY ACTIVE (R OR S)-ALPHA-AMINO ACID ESTER UBE INDUSTRIES, LTD. (JP) 2009-02-12 US disclosed
EP-1942193-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S OR R)-a-AMINO ACID OR OPTICALLY ACTIVE (S OR R)-a -AMINO ACID ESTER Ube Industries, Ltd. (JP) 2008-07-09 EP disclosed
CN-1634892-A Method for resolution of isoquinolines XUZHOU NHWA PHARM GROUP CO LTD (CN) 2005-07-06 CN 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 (1 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-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF PREP, TFPI, PEPD CTSL 66/4885CA2 3135/4885CTSB 117/4885

“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.