SCHEMBL4882860

SCHEMBL4882860

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.52
HTT P42858 1/20 0.47
MME P08473 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.43
FFAR1 O14842 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 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
SCHEMBL4882850 1.00 DPP7 (0.52) DPP7HTTMMEKMT2AMEN1
SCHEMBL4889836 1.00 DPP7 (0.52) DPP7HTTMMEKMT2AMEN1
SCHEMBL1832078 0.85 POLB (0.46) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL4855726 0.85 POLB (0.46) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL4856801 0.85 POLB (0.46) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL4852847 0.85 DPP7 (0.50) DPP7HTTKMT2AMEN1EPHX2
SCHEMBL14034567 0.84 TDP1 (0.53) HTTMMEKMT2AMEN1EPHX2
SCHEMBL4884564 0.82 FFAR1 (0.51) KMT2AMEN1PPARGALDH1A1FFAR1
SCHEMBL4884554 0.82 FFAR1 (0.51) KMT2AMEN1PPARGALDH1A1FFAR1
SCHEMBL4889013 0.82 FFAR1 (0.51) KMT2AMEN1PPARGALDH1A1FFAR1

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 1169/4885HTT 487/4885MME 895/4885

“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.