SCHEMBL553906

SCHEMBL553906

O=C(O)CC(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.61
CASP1 P29466 12/20 0.55
SYK P43405 1/20 0.51
ATM Q13315 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49

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
SCHEMBL264008 1.00 CTRB1 (0.61) CTRB1CASP1SYKATMITGB3
SCHEMBL553905 1.00 CTRB1 (0.61) CTRB1CASP1SYKATMITGB3
SCHEMBL7136060 0.92 CTRB1 (0.66) CTRB1CASP1SYKATM
SCHEMBL264153 0.92 CTRB1 (0.56) CTRB1CASP1SYKATM
SCHEMBL4829896 0.91 CTRB1 (0.68) CTRB1SYKATM
SCHEMBL25302472 0.88 CTRB1 (0.58) CTRB1CASP1SYKATMITGB3
SCHEMBL18956262 0.88 CTRB1 (0.58) CTRB1CASP1SYKATMITGB3
SCHEMBL14288626 0.88 CTRB1 (0.58) CTRB1CASP1SYKATM
SCHEMBL6157326 0.88 CTRB1 (0.74) CTRB1CASP1ITGB3ITGA2B
SCHEMBL6157333 0.88 CTRB1 (0.74) CTRB1CASP1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59148756-A None JP disclosed
EP-4010314-B1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-02-28 EP disclosed
US-20240002397-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-01-04 US disclosed
EP-4247801-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-27 EP disclosed
CN-116249697-A Bicycloheptane pyrrolidine orexin receptor agonists 默沙东有限责任公司 2023-06-09 CN disclosed
EP-3692028-B1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 30 FORMA THERAPEUTICS INC (US) 2023-04-26 EP disclosed
CN-115697967-A Sulfonylbenzamide derivatives, conjugates thereof, preparation methods and applications of derivatives and conjugates 江苏恒瑞医药股份有限公司 2023-02-03 CN disclosed
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2023-01-19 US disclosed
US-20220185806-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 30 FORMA THERAPEUTICS, INC. 2022-06-16 US disclosed
EP-4010314-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2022-06-15 EP disclosed
EP-1581475-B1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND DERIVATIVES THEREOF FROM D-AND L-ASPARTIC ACID SIGMA TAU IND FARMACEUTI (IT) 2009-09-16 EP disclosed
EP-1581475-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND DERIVATIVES THEREOF FROM D-AND L-ASPARTIC ACID Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-10-05 EP disclosed
US-6822115-B2 VIA DIRECT HYDROLYSIS OF THE CHIRAL AMINOCARNITINE ESTER IN AN ACIDIC MILIEU TO YIELD A CHIRAL AMINOCARNITINE INNER SALT WITHOUT PURIFYING THE INTERMEDIATE PRODUCTS; PURITY OF >99%; RESOLUTION; ENZYME INHIBITOR OF CARNITINE PALMOYL TRANSFERASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-23 US disclosed
WO-2004063143-A1 SYNTHESIS FO (R) AND (S)-AMINOCARNITINE AND DERIVATIVES THEREOF FROM D-AND L-ASPARTIC ACID SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-07-29 WO disclosed
EP-1194398-B1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID SIGMA TAU IND FARMACEUTI (IT) 2003-08-27 EP disclosed
US-20030153784-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-08-14 US disclosed
US-6528684-B1 Blocking amino group, cyclizing to anhydride, decarbonylation lactonation, hydrolysis, dehydroxylation quaternation using trimethyl ammonium halide, converting to internal carboxylic amine salt and deblocking SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-03-04 US disclosed
EP-1194398-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2002-04-10 EP disclosed
WO-2001002341-A1 SYNTHESIS OF (R) AND (S)-AMINOCARNITINE AND THEIR DERIVATIVES STARTING FROM D- AND L-ASPARTIC ACID SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-01-11 WO disclosed
JP-S59148756-A PREPARATION OF 3-BENZYLOXYCARBONYLAMINO-4- HYDROXYBUTYRIC ACID TEIKOKU HORMONE MFG CO LTD 1984-08-25 JP 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 (4 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-20220185806-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 30 USP30, UCHL1, UCHL3 CTRB1 2183/4885CASP1 1503/4885SYK 4716/4885
US-20030153784-A1 Synthesis of (R) and (S)-aminocarnitine, (R) and (S)-4-phosphonium-3-amino-butanoate, (R) and (S) 3,4-diaminobutanoic acid, and their derivatives starting from D- and L-aspartic acid BCAT1, BCAT2, DDC CTRB1 2983/4885CASP1 2470/4885SYK 3419/4885
US-20240002397-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, OXTR CTRB1 3436/4885CASP1 3270/4885SYK 2623/4885
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR CTRB1 3039/4885CASP1 4029/4885SYK 3121/4885

“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.