SCHEMBL4887054

SCHEMBL4887054

COc1ccc(C[C@@H](CC(=O)O)NCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
LDHA P00338 1/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
HTT P42858 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
MME P08473 1/20 0.48
FFAR1 O14842 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
SCHEMBL4884374 1.00 NPC1 (0.53) NPC1LDHAPPARGPPARAMEN1
SCHEMBL4884357 1.00 NPC1 (0.53) NPC1LDHAPPARGPPARAMEN1
SCHEMBL4858501 0.91 NPC1 (0.52) NPC1LDHAPPARGPPARAMEN1
SCHEMBL4883092 0.87 CPA1 (0.53) MME
SCHEMBL4883084 0.87 CPA1 (0.53) MME
SCHEMBL4889079 0.87 CPA1 (0.53) MME
SCHEMBL4875713 0.87 MEN1 (0.55) NPC1MEN1KMT2AATMHTT
SCHEMBL4885886 0.87 MEN1 (0.55) NPC1MEN1KMT2AATMHTT
SCHEMBL4875698 0.87 MEN1 (0.55) NPC1MEN1KMT2AATMHTT
SCHEMBL4889013 0.85 FFAR1 (0.51) NPC1LDHAPPARGMEN1KMT2A

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 NPC1 1932/4885LDHA 2755/4885PPARG 2650/4885

“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.