SCHEMBL4889418

SCHEMBL4889418

O=C(O)C[C@@H](Cc1ccc(I)cc1)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.45
CPB1 P15086 1/20 0.45
CPA3 P15088 1/20 0.45
CPB2 Q96IY4 1/20 0.45
FPR2 P25090 3/20 0.44
SIGMAR1 Q99720 3/20 0.43
MMEL1 Q495T6 1/20 0.43
MME P08473 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL4888634 1.00 CPA1 (0.45) CPA1CPB1CPA3CPB2FPR2
SCHEMBL4888648 1.00 CPA1 (0.45) CPA1CPB1CPA3CPB2FPR2
SCHEMBL4883092 0.91 CPA1 (0.53) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4889079 0.91 CPA1 (0.53) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4883084 0.91 CPA1 (0.53) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4886780 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4887404 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4886772 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4852973 0.86 SIGMAR1 (0.42) FPR2SIGMAR1DPP7
SCHEMBL4884678 0.85 MME (0.54) CPA1CPB1CPA3CPB2MMEL1

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 CPA1 508/4885CPB1 507/4885CPA3 1263/4885

“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.