SCHEMBL640977

SCHEMBL640977

CC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.50
CYP26A1 O43174 1/20 0.50
HTT P42858 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50

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
SCHEMBL3375103 1.00 KMT2A (0.58) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL2851129 1.00 KMT2A (0.58) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL4628706 0.89 KMT2A (0.58) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL1709762 0.89 KMT2A (0.58) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL4628700 0.89 KMT2A (0.58) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL18395173 0.87 KMT2A (0.57) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL18395170 0.87 KMT2A (0.57) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL18395611 0.87 KMT2A (0.57) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL18395608 0.87 KMT2A (0.57) KMT2ASMN1; SMN2LMNATDP1MEN1
SCHEMBL3781378 0.86 KMT2A (0.47) KMT2ASMN1; SMN2LMNATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101180278-A 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators MERCK PATENT GMBH (DE) 2008-05-14 CN claimed
EP-0684944-B1 COUPLING PRODUCT OBTAINED FROM HYSTAMINE AND AN AMINO ACID EXSYMOL SA (MC) 2001-07-25 EP claimed
US-5792784-A A PSEUDO-DIPEPTIDE PRODUCT WHICH IS HISTAMINE OR METHYL-SUBSTITUTED HISTAMINE COUPLED WITH A AMINO ACID; USED IN THERAPEUTICAL, COSMETOLOGICAL APPLICATIONS AND TREATS VISION DEFECT Babizhayev, Marc (SU) 1998-08-11 US claimed
CN-113845485-B Amino acid derivative and preparation method and application thereof 湖南中医药大学 2023-03-14 CN disclosed
CN-112824423-B Chiral ferrocenylphosphine-indolylaminophosphine ligand and preparation method and application thereof 中国科学院大连化学物理研究所(CN) 2023-01-13 CN disclosed
CN-112824422-B Chiral ferrocene-indole diphosphine ligand as well as preparation method and application thereof 中国科学院大连化学物理研究所(CN) 2023-01-13 CN disclosed
WO-2021081110-A2 PEPTIDES AND USE THEREOF ANEXIGEN, INC. (US) 2021-04-29 WO disclosed
WO-2017222083-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 WO disclosed
EP-1386901-B1 Method for producing an optically active beta-amino acid TAKASAGO PERFUMERY CO LTD (JP) 2015-07-01 EP disclosed
EP-1624052-B1 Process for the production of beta-amino acids with the use of acylase AJINOMOTO KK (JP) 2015-05-27 EP disclosed
EP-1624052-B1 Process for the production of beta-amino acids with the use of acylase AJINOMOTO KK (JP) 2015-05-27 EP disclosed
US-20050065366-A1 Method for producing optically active beta-phenylalanine compounds AJINOMOTO CO., INC. (JP) 2005-03-24 US disclosed
EP-1487990-A2 PROCESS FOR PREPARING OPTICALLY ACTIVE BETA-AMINOCARBOXYLIC ACIDS FROM RACEMIC N-ACYLATED BETA-AMINOCARBOXYLIC ACIDS Degussa AG (DE) 2004-12-22 EP disclosed
EP-1484314-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2004-12-08 EP disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 EP disclosed
WO-2003080854-A2 PROCESS FOR PREPARING OPTICALLY ACTIVE BETA-AMINOCARBOXYLIC ACIDS FROM RACEMIC N-ACYLATED BETA-AMINOCARBOXYLIC ACIDS DEGUSSA AG (DE) 2003-10-02 WO disclosed
US-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed
WO-1999059721-A1 CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES THE PENN STATE RESEARCH FOUNDATION (US) 1999-11-25 WO disclosed
US-5792784-A A PSEUDO-DIPEPTIDE PRODUCT WHICH IS HISTAMINE OR METHYL-SUBSTITUTED HISTAMINE COUPLED WITH A AMINO ACID; USED IN THERAPEUTICAL, COSMETOLOGICAL APPLICATIONS AND TREATS VISION DEFECT Babizhayev, Marc (SU) 1998-08-11 US disclosed
CN-1098404-A Inhibitors of HIV protease as the treatment AIDS LILLY CO ELI (US) 1995-02-08 CN 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-20050065366-A1 Method for producing optically active beta-phenylalanine compounds PAH, NPEPPS, DNPEP KMT2A 2037/4885SMN1; SMN2 2285/4885LMNA 763/4885

“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.