SCHEMBL4882099

SCHEMBL4882099

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 4/20 0.52
TSHR P16473 1/20 0.50
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.43
FFAR1 O14842 1/20 0.43
FDFT1 P37268 1/20 0.42
DPP8 Q6V1X1 1/20 0.42

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
SCHEMBL4882086 1.00 DPP7 (0.52) DPP7TSHRCYP2C19CYP1A2CYP2D6
SCHEMBL4888614 1.00 DPP7 (0.52) DPP7TSHRCYP2C19CYP1A2CYP2D6
SCHEMBL4850395 0.85 ADAMTS4 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4846804 0.85 ADAMTS4 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4846816 0.85 ADAMTS4 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4855981 0.85 DPP7 (0.50) DPP7TSHRCYP2C19CYP1A2CYP2D6
SCHEMBL4889212 0.84 CTSK (0.48) DPP7MEN1KMT2ARAB9A
SCHEMBL4885801 0.84 CTSK (0.48) DPP7MEN1KMT2ARAB9A
SCHEMBL4885792 0.84 CTSK (0.48) DPP7MEN1KMT2ARAB9A
SCHEMBL4886566 0.84 DPP7 (0.50) DPP7TSHRCYP2C19CYP1A2CYP2D6

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 1169/4885TSHR 2523/4885CYP2C19 131/4885

“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.