SCHEMBL4882233

SCHEMBL4882233

COc1cccc(CNC(CC(=O)O)C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP13 P45452 1/20 0.51
CASR P41180 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.49
CYP1A2 P05177 1/20 0.49
APEX1 P27695 1/20 0.48
KDM4E B2RXH2 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL4885536 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4882216 1.00 MEN1 (0.54) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4858619 0.90 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL4886716 0.83 PLA2G1B (0.52) MEN1KMT2AALDH1A1SMN1; SMN2CASR
SCHEMBL4878846 0.83 PLA2G1B (0.52) MEN1KMT2AALDH1A1SMN1; SMN2CASR
SCHEMBL4878836 0.83 PLA2G1B (0.52) MEN1KMT2AALDH1A1SMN1; SMN2CASR
SCHEMBL4850395 0.81 ADAMTS4 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4846816 0.81 ADAMTS4 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4846804 0.81 ADAMTS4 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4885581 0.81 FFAR1 (0.47) MEN1KMT2AHTTSMN1; SMN2KDM4E

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 MEN1 3529/4885KMT2A 4504/4885ALDH1A1 1354/4885

“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.