SCHEMBL4884685

SCHEMBL4884685

O=C(O)CC(Cc1ccc(F)cc1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 1/20 0.48
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 1/20 0.46
MMEL1 Q495T6 1/20 0.45
KMT2A Q03164 1/20 0.45
CPA1 P15085 2/20 0.45

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
SCHEMBL4884678 1.00 MME (0.54) MMEALDH1A1RAB9AKDM4EPLA2G1B
SCHEMBL4887308 1.00 MME (0.54) MMEALDH1A1RAB9AKDM4EPLA2G1B
SCHEMBL4889079 0.91 CPA1 (0.53) MMECPA1CPB1CPA3CPB2
SCHEMBL4883084 0.91 CPA1 (0.53) MMECPA1CPB1CPA3CPB2
SCHEMBL4883092 0.91 CPA1 (0.53) MMECPA1CPB1CPA3CPB2
SCHEMBL4886772 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2
SCHEMBL4886780 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2
SCHEMBL4887404 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2
SCHEMBL4854203 0.86 CA12 (0.51) MMEALDH1A1RAB9AKDM4EPLA2G1B
SCHEMBL4882026 0.86 ALDH1A1 (0.52) MMEALDH1A1RAB9AKDM4EPLA2G1B

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 MME 895/4885ALDH1A1 1354/4885RAB9A 1336/4885

“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.