SCHEMBL4848732

SCHEMBL4848732

CCOC(=O)CC(Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.52
MMP8 P22894 1/20 0.49
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
MMEL1 Q495T6 1/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 2/20 0.44
SRR Q9GZT4 1/20 0.43

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
SCHEMBL16839664 0.94 MMEL1 (0.52) PPIDMMP8EPHX2PPARGSMN1; SMN2
SCHEMBL4851565 0.90 PPID (0.54) PPIDMMP8EPHX2PPARGSMN1; SMN2
SCHEMBL16839819 0.89 PPARG (0.50) PPIDEPHX2PPARGSMN1; SMN2
SCHEMBL4848886 0.89 PPID (0.52) PPIDMMP8EPHX2PPARGSMN1; SMN2
SCHEMBL4848724 0.87 PPID (0.51) PPIDMMP8EPHX2PPARGSMN1; SMN2
SCHEMBL4849226 0.87 PPID (0.51) PPIDMMP8EPHX2PPARGSMN1; SMN2
SCHEMBL1827455 0.87 PPARG (0.44) PPIDMMP8EPHX2PPARGSMN1; SMN2
SCHEMBL4856050 0.87 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ATRPM8ATM
SCHEMBL1823803 0.85 ALDH1A1 (0.43) PPIDEPHX2PPARGSMN1; SMN2ALDH1A1
SCHEMBL1822271 0.83 P2RX7 (0.47) PPARGALDH1A1ATM

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 PPID 4088/4885MMP8 1253/4885EPHX2 35/4885

“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.