SCHEMBL4875765

SCHEMBL4875765

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 2/20 0.51
ATM Q13315 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
APAF1 O14727 1/20 0.49
ACP3 P15309 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
EEF2K O00418 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL4881660 1.00 SIGMAR1 (0.51) SIGMAR1ALDH1A1ATML3MBTL1APAF1
SCHEMBL4875759 1.00 SIGMAR1 (0.51) SIGMAR1ALDH1A1ATML3MBTL1APAF1
SCHEMBL26724536 0.87 ATM (0.52) ALDH1A1ATML3MBTL1MAPTEEF2K
SCHEMBL1144336 0.87 ATM (0.52) ALDH1A1ATML3MBTL1MAPTEEF2K
SCHEMBL4858585 0.85 KCNA5 (0.49) SIGMAR1ALDH1A1APAF1ACP3MEN1
SCHEMBL19737420 0.84 ATM (0.50) ALDH1A1ATML3MBTL1MAPTEEF2K
SCHEMBL4891321 0.84 SIGMAR1 (0.58) SIGMAR1APAF1ACP3MEN1KMT2A
SCHEMBL4884771 0.84 SIGMAR1 (0.58) SIGMAR1APAF1ACP3MEN1KMT2A
SCHEMBL21193183 0.84 SIGMAR1 (0.58) SIGMAR1APAF1ACP3MEN1KMT2A
SCHEMBL4884782 0.84 SIGMAR1 (0.58) SIGMAR1APAF1ACP3MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed
EP-0736031-B1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY INTERNATIONAL (GB) 2000-05-03 EP disclosed
US-6037498-A Chiral syntheses OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 2000-03-14 US disclosed
WO-1995018134-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL SYNTHESES OXFORD ASYMMETRY LIMITED (GB) 1995-07-06 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 (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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 SIGMAR1 1339/4885ALDH1A1 1354/4885ATM 3793/4885

“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.