SCHEMBL3375103

SCHEMBL3375103

CC(=O)N[C@H](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
SCHEMBL640977 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 US disclosed
EP-1386901-B1 Method for producing an optically active beta-amino acid TAKASAGO PERFUMERY CO LTD (JP) 2015-07-01 EP disclosed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
US-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-31 US disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
US-20060122418-A1 Method for producing an optically active beta-amino acid MATSUMURA KAZUHIKO 2006-06-08 US disclosed
US-7015348-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-21 US disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 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 (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-20070123589-A1 Method for producing chiral or enantiomer-enriched beta-amino acids, aldehydes, ketones and gama-amino alcohols GLRA1, GLRB, GLRA2 KMT2A 1115/4885SMN1; SMN2 3427/4885LMNA 2937/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC KMT2A 3912/4885SMN1; SMN2 3450/4885LMNA 3042/4885
US-20060122418-A1 Method for producing an optically active beta-amino acid AADAT, DAO, BCAT2 KMT2A 2862/4885SMN1; SMN2 3286/4885LMNA 2333/4885
US-20180162868-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS SCN1A, SCN1B, SCN2B KMT2A 2321/4885SMN1; SMN2 334/4885LMNA 1080/4885

“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.