SCHEMBL4890438

SCHEMBL4890438

O=C(O)C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.49
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
MAPT P10636 1/20 0.43
CYP26A1 O43174 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CTSA P10619 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL4887558 1.00 EEF2K (0.49) EEF2KATML3MBTL1ALDH1A1GABBR2
SCHEMBL4887550 1.00 EEF2K (0.49) EEF2KATML3MBTL1ALDH1A1GABBR2
SCHEMBL1573832 0.84 MAPT (0.55) EEF2KATML3MBTL1ALDH1A1GABBR2
SCHEMBL2294021 0.84 MAPT (0.55) EEF2KATML3MBTL1ALDH1A1GABBR2
SCHEMBL4847757 0.84 KCNA5 (0.44) ALDH1A1CNR1CNR2
SCHEMBL23161596 0.80 RIPK1 (0.45)
SCHEMBL4986001 0.80 RIPK1 (0.45)
SCHEMBL4880938 0.77 CYP2C19 (0.43) ALDH1A1MAPTCYP2C19
SCHEMBL4887937 0.77 CYP2C19 (0.43) ALDH1A1MAPTCYP2C19
SCHEMBL4880944 0.77 CYP2C19 (0.43) ALDH1A1MAPTCYP2C19

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 EEF2K 1883/4885ATM 3793/4885L3MBTL1 4360/4885

“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.