SCHEMBL265461

SCHEMBL265461

CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.66
SIRT2 Q8IXJ6 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
CTSL P07711 5/20 0.60
CTSS P25774 5/20 0.60
CTSB P07858 3/20 0.55
MME P08473 1/20 0.54
ECE1 P42892 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
TACR1 P25103 2/20 0.53
KYNU Q16719 1/20 0.53

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
SCHEMBL329038 1.00 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL265783 1.00 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL11332452 0.92 CTSL (0.72) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL150166 0.92 CTSL (0.72) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL4126228 0.92 CTSL (0.72) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL20381057 0.91 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL22144261 0.91 CTSK (0.66) CTSKSIRT2SIRT1CTSLCTSS
SCHEMBL17279329 0.90 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSMME
SCHEMBL11308449 0.90 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSMME
Hydrochloric Acid SCHEMBL4438043 0.90 CTSL (0.70) CTSKSIRT2SIRT1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014083582-A2 NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2014-06-05 WO claimed
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
US-4720484-A Peptide compounds having a nitrogenous polycyclic structure ADIR S.A.R.L. (FR) 1988-01-19 US disclosed
EP-0190058-B1 PEPTIDE DERIVATIVES WITH A POLYCYCLIC NITROGEN STRUCTURE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR (FR) 1987-12-23 EP disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed
EP-0190058-A1 Peptide derivatives with a polycyclic nitrogen structure, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1986-08-06 EP disclosed
EP-0002534-B1 AMINO ACID DERIVATIVES, PROCESS FOR OBTAINING THEM, INTERMEDIATE COMPOUNDS IN OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-01-13 EP disclosed
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed
EP-0002822-A1 Phosphorus containing peptide derivatives, their production, intermediates for their production and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP disclosed
EP-0002534-A1 Amino acid derivatives, process for obtaining them, intermediate compounds in obtaining them and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-06-27 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 (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-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 CTSK 2481/4885SIRT2 1161/4885SIRT1 2010/4885

“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.