SCHEMBL4885832

SCHEMBL4885832

CC(CC(=O)O)N[C@H](C)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
EPHX2 P34913 2/20 0.50
METAP2 P50579 2/20 0.50
METAP1 P53582 2/20 0.50
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SSTR4 P31391 1/20 0.46
CYP2D6 P10635 2/20 0.46
CASP1 P29466 1/20 0.45
CASR P41180 1/20 0.44

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
SCHEMBL4885841 1.00 CYP2C9 (0.52) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4885826 1.00 CYP2C9 (0.52) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4890456 1.00 CYP2C9 (0.52) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4890452 1.00 CYP2C9 (0.52) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4888894 0.86 CYP2C9 (0.50) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4848581 0.86 MEN1 (0.48) CYP2C19EPHX2METAP2METAP1LMNA
SCHEMBL4888890 0.86 CYP2C9 (0.50) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4888902 0.86 CYP2C9 (0.50) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4886816 0.85 EPHX2 (0.50) CYP2C9HPGDCYP2C19HTTEPHX2
SCHEMBL4886793 0.85 EPHX2 (0.50) CYP2C9HPGDCYP2C19HTTEPHX2

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 CYP2C9 96/4885HPGD 470/4885CYP2C19 131/4885

“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.