SCHEMBL88462

SCHEMBL88462

CCC(CC)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.41
CTSS P25774 7/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 3/20 0.39
CA7 P43166 3/20 0.39
CA12 O43570 3/20 0.39
CA14 Q9ULX7 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
AKT1 P31749 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
APLNR P35414 1/20 0.35

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
SCHEMBL5147739 0.91 CTSK (0.39) CTSKCTSSMEN1GAAKMT2A
SCHEMBL5147615 0.89 AKT1 (0.38) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2463123 0.85 CTSK (0.35) CTSKCTSSMEN1GAAKMT2A
SCHEMBL23797497 0.85 MAPT (0.38) CTSKCTSSMEN1GAAKMT2A
SCHEMBL5408412 0.85 CTSK (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL8836642 0.84 TDP1 (0.42) CTSKCTSSMEN1GAAKMT2A
SCHEMBL15116461 0.84 CA1 (0.39) CTSKCTSSMEN1GAAKMT2A
SCHEMBL646732 0.84 CTSK (0.35) CTSKCTSSMEN1GAAKMT2A
SCHEMBL7864105 0.84 CTSS (0.38) CTSKCTSSMEN1GAAKMT2A
SCHEMBL88463 0.82 DGAT1 (0.45) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
US-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME SEIKAGAKU CORPORATION (JP) 2021-01-21 US disclosed
CN-111170938-A 5, 6-disubstituted pyridine-2-carboxamides as cannabinoid receptor agonists 豪夫迈·罗氏有限公司 2020-05-19 CN disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
WO-2019189876-A1 (CARBOXYLIC ACID-TYPE COMPOUND)-POLYMER CONJUGATE HAVING BIOLOGICAL ACTIVITY, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2019-10-03 WO disclosed
CN-106349156-B It can be used as the pyridine -2- amides of CB2 agonist 霍夫曼-拉罗奇有限公司 2018-12-11 CN disclosed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
EP-0691346-B1 Novel aspartyldipeptide derivatives and sweetener AJINOMOTO KK (JP) 2001-03-14 EP disclosed
US-5723165-A ARTIFICIAL SWEETENERS AJINOMOTO CO., INC. (JP) 1998-03-03 US disclosed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 US disclosed
EP-0691346-A1 Novel aspartyldipeptide derivatives and sweetener Ajinomoto Co., Inc. (JP) 1996-01-10 EP disclosed
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
US-5332726-A Anticoagulant RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-07-26 US disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 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 (2 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-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME HCAR1, HCAR2, MCCC2 CTSK 512/4885CTSS 461/4885MEN1 2134/4885
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 CTSK 4607/4885CTSS 4235/4885MEN1 236/4885

“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.