SCHEMBL4883094

SCHEMBL4883094

COc1ccc([C@@H](CC(=O)O)NC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.53
ALDH1A1 P00352 3/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CNR2 P34972 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CTSA P10619 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4879398 1.00 GPR88 (0.53) GPR88ALDH1A1THRBHPGDNPSR1
SCHEMBL4879387 1.00 GPR88 (0.53) GPR88ALDH1A1THRBHPGDNPSR1
SCHEMBL4854181 0.90 GPR88 (0.52) GPR88ALDH1A1NPSR1CNR2TP53
SCHEMBL4883284 0.86 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AHTTL3MBTL1
SCHEMBL4890478 0.86 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AHTTL3MBTL1
SCHEMBL4883269 0.86 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AHTTL3MBTL1
SCHEMBL4886930 0.84 LMNA (0.54) ALDH1A1CNR2KMT2AL3MBTL1FNTA
SCHEMBL4886917 0.84 LMNA (0.54) ALDH1A1CNR2KMT2AL3MBTL1FNTA
SCHEMBL4889290 0.84 LMNA (0.54) ALDH1A1CNR2KMT2AL3MBTL1FNTA
SCHEMBL28178717 0.83 TDP1 (0.51) GPR88ALDH1A1CNR2TP53KMT2A

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 GPR88 174/4885ALDH1A1 1354/4885THRB 1588/4885

“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.