SCHEMBL3516129

SCHEMBL3516129

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
CTSS P25774 8/20 0.56
CTSL P07711 7/20 0.56
CTSK P43235 6/20 0.56
CTSB P07858 5/20 0.55
CTRB1 P17538 2/20 0.55
ELANE P08246 1/20 0.54
TACR1 P25103 1/20 0.52

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
SCHEMBL3516128 1.00 ATM (0.58) ATMCTSSCTSLCTSKCTSB
SCHEMBL4561240 1.00 ATM (0.58) ATMCTSSCTSLCTSKCTSB
SCHEMBL19384886 0.90 CTSK (0.58) ATMCTSSCTSLCTSKCTSB
SCHEMBL18342578 0.90 CTSK (0.58) ATMCTSSCTSLCTSKCTSB
SCHEMBL10611150 0.89 CTSK (0.57) ATMCTSSCTSLCTSKCTSB
SCHEMBL10611157 0.89 CTSK (0.57) ATMCTSSCTSLCTSKCTSB
SCHEMBL25409985 0.86 ATM (0.57) ATMCTSSCTSLCTSKCTSB
SCHEMBL6312473 0.86 CTSS (0.62) ATMCTSSCTSLCTSKCTSB
SCHEMBL6311738 0.86 CTSS (0.62) ATMCTSSCTSLCTSKCTSB
SCHEMBL23810165 0.86 ATM (0.57) ATMCTSSCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US claimed
EP-1529030-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID Prestwick Pharmaceuticals, Inc. (US) 2005-05-11 EP claimed
WO-2004016580-A2 DERIVATIVES OF GLYCINERGIC R(+)-2-AMINO-3-HYDROXYPROPANOIC ACID PRESTWICK PHARMACEUTICALS, INC. (US) 2004-02-26 WO claimed
CN-1207095-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 1999-02-03 CN claimed
US-5367086-A Process for the preparation of taxol and 10-deacetyltaxol UNIVERSITY OF FLORIDA (US) 1994-11-22 US claimed
US-5200534-A Process for the preparation of taxol and 10-deacetyltaxol UNIVERSITY OF FLORIDA (US) 1993-04-06 US claimed
EP-3432934-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 EP disclosed
EP-3310440-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2018-04-25 EP disclosed
WO-2017162663-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
WO-2016207089-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 WO disclosed
US-9481709-B2 Boropeptide inhibitors of enteropeptidase and their uses in treatment of obesity, overweight and/or diseases associated with an abnormal fat metabolism OBE THERAPY BIOTECHNOLOGY (FR) 2016-11-01 US disclosed
US-20140187479-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM OBE THERAPY BIOTECHNOLOGY (FR) 2014-07-03 US disclosed
US-20100311690-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM OBE THERAPY BIOTECHNOLOGY (FR) 2010-12-09 US disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
EP-0074761-B1 PEPTIDE-TYPE SUBSTRATES USEFUL IN THE QUANTITATIVE DETERMINATION OF ENDOTOXIN WHITTAKER CORPORATION (US) 1985-12-27 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
EP-0004024-B1 METHOD FOR PREPARING 3-HYDROXY-6-PHENYL-1,2,3,4-TETRAHYDRO-1,5-BENZODIAZOCINES Kali-Chemie Pharma GmbH (DE) 1982-02-24 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 (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-20100311690-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM TMPRSS15, PCSK9, ANPEP ATM 4412/4885CTSS 855/4885CTSL 566/4885
US-20140187479-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM TMPRSS15, PCSK9, FABP4 ATM 4456/4885CTSS 1134/4885CTSL 570/4885
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid GLRA3, GLRA1, GLRA2 ATM 4168/4885CTSS 3166/4885CTSL 2130/4885

“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.