SCHEMBL4883931

SCHEMBL4883931

CCC[C@H](CC(=O)O)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
SIGMAR1 Q99720 2/20 0.43
TLR2 O60603 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
ACP3 P15309 1/20 0.41
RIPK1 Q13546 1/20 0.41

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
SCHEMBL4883935 1.00 POLB (0.45) POLBSIGMAR1TLR2MAPTGAA
SCHEMBL4884968 1.00 POLB (0.45) POLBSIGMAR1TLR2MAPTGAA
SCHEMBL4856801 0.87 POLB (0.46) POLBSIGMAR1MAPTGAAL3MBTL1
SCHEMBL1832078 0.87 POLB (0.46) POLBSIGMAR1MAPTGAAL3MBTL1
SCHEMBL4855726 0.87 POLB (0.46) POLBSIGMAR1MAPTGAAL3MBTL1
SCHEMBL4857826 0.86 MEN1 (0.43) POLBSIGMAR1TLR2MAPTL3MBTL1
SCHEMBL28983264 0.86 L3MBTL1 (0.51) POLBSIGMAR1MAPTGAAL3MBTL1
SCHEMBL4878013 0.85 CTSG (0.48) MAPTGAACNR2MEN1ALDH1A1
SCHEMBL4879353 0.85 CTSG (0.48) MAPTGAACNR2MEN1ALDH1A1
SCHEMBL4878019 0.85 CTSG (0.48) MAPTGAACNR2MEN1ALDH1A1

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 4 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

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 POLB 2773/4885SIGMAR1 1339/4885TLR2 2684/4885

“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.