SCHEMBL4886570

SCHEMBL4886570

CC(CC(=O)O)NCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KCNH2 Q12809 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.46
GAA P10253 1/20 0.45
FFAR1 O14842 1/20 0.45
FDFT1 P37268 1/20 0.44

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
SCHEMBL4888857 1.00 DPP7 (0.50) DPP7CYP2C19CYP1A2CYP2D6DPP8
SCHEMBL4886566 1.00 DPP7 (0.50) DPP7CYP2C19CYP1A2CYP2D6DPP8
SCHEMBL4885856 0.85 SMN1; SMN2 (0.50) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4880197 0.85 SMN1; SMN2 (0.50) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4880184 0.85 SMN1; SMN2 (0.50) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4855673 0.84 SIGMAR1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4849306 0.84 SIGMAR1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2852187 0.84 SIGMAR1 (0.61) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4882086 0.84 DPP7 (0.52) DPP7CYP2C19CYP1A2CYP2D6DPP8
SCHEMBL20578245 0.84 DPP7 (0.48) DPP7CYP2C19CYP1A2CYP2D6DPP8

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 DPP7 1169/4885CYP2C19 131/4885CYP1A2 89/4885

“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.