SCHEMBL553905

SCHEMBL553905

O=C(O)C[C@H](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
SCHEMBL553906 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374020-A1 SUBSTITUTED IMIDAZO[l,2-a]PYRAZINES AND PYRAZINO[l,2-a] PYRIMIDINES AS TOPICAL AGENTS FOR DERMATOLOGICAL APPLICATIONS Genesis Molecular Technologies, Inc. 2023-11-23 US disclosed
US-20230374020-A1 SUBSTITUTED IMIDAZO[l,2-a]PYRAZINES AND PYRAZINO[l,2-a] PYRIMIDINES AS TOPICAL AGENTS FOR DERMATOLOGICAL APPLICATIONS Genesis Molecular Technologies, Inc. 2023-11-23 US disclosed
US-11639356-B2 Substituted imidazo[1,2-a]pyrazines and pyrazino[1,2-a]pyrimidines as topical agents for dermatological applications Genesis Molecular Technologies, Inc. (US) 2023-05-02 US disclosed
US-11639356-B2 Substituted imidazo[1,2-a]pyrazines and pyrazino[1,2-a]pyrimidines as topical agents for dermatological applications Genesis Molecular Technologies, Inc. (US) 2023-05-02 US 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-20220106320-A1 TOPICAL AGENTS FOR DERMATOLOGICAL APPLICATIONS Genesis Molecular Technologies, Inc. 2022-04-07 US disclosed
EP-2601177-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2017-10-18 EP disclosed
EP-2601177-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2017-10-18 EP disclosed
WO-2017123616-A1 INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS MERRIMACK PHARMACEUTICALS, INC. (US) 2017-07-20 WO disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US 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
US-20040102433-A1 Novel beta-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-05-27 US disclosed
EP-1340756-A1 NOVEL BETA-LACTAM COMPOUNDS AND PROECSS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-09-03 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-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-20040102433-A1 Novel beta-lactam compounds and process for producing the same MRPL21, MCRS1, RPS4X CTRB1 941/4885CASP1 135/4885SYK 2797/4885
US-11639356-B2 Substituted imidazo[1,2-a]pyrazines and pyrazino[1,2-a]pyrimidines as topical agents for dermatological applications CREBBP, CREB1, PRKACA CTRB1 2367/4885CASP1 2943/4885SYK 2848/4885
US-20220106320-A1 TOPICAL AGENTS FOR DERMATOLOGICAL APPLICATIONS CREBBP, EBP, CREB1 CTRB1 1668/4885CASP1 2949/4885SYK 2735/4885
US-20230374020-A1 SUBSTITUTED IMIDAZO[l,2-a]PYRAZINES AND PYRAZINO[l,2-a] PYRIMIDINES AS TOPICAL AGENTS FOR DERMATOLOGICAL APPLICATIONS CREBBP, CREB1, EP300 CTRB1 2051/4885CASP1 3122/4885SYK 1613/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX CTRB1 2752/4885CASP1 89/4885SYK 2797/4885

“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.