SCHEMBL4360495

SCHEMBL4360495

O=C(O)C(C(=O)O)C(C[N+](=O)[O-])c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.42
CNR1 P21554 1/20 0.41
HPGD P15428 2/20 0.41
CPA1 P15085 3/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.39
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4360490 1.00 CYP2C19 (0.46) CYP2C19KMT2ACYP2D6CYP2C9MEN1
SCHEMBL5244764 0.87 ALDH1A1 (0.58) CYP2C19KMT2ACYP2D6CYP2C9MEN1
SCHEMBL16683403 0.86 BRD4 (0.53) CYP2C19KMT2ACYP2D6CYP2C9MEN1
SCHEMBL4120421 0.86 BRD4 (0.53) CYP2C19KMT2ACYP2D6CYP2C9MEN1
SCHEMBL22831446 0.85 LMNA (0.46) CYP2C19KMT2ACYP2D6CYP2C9ALDH1A1
SCHEMBL220114 0.85 CNR1 (0.43) CYP2C19KMT2ACYP2D6CYP2C9MEN1
SCHEMBL220113 0.85 CNR1 (0.43) CYP2C19KMT2ACYP2D6CYP2C9MEN1
SCHEMBL22831433 0.85 CPA1 (0.51) CYP2C19CYP2D6ALDH1A1MAPTLMNA
SCHEMBL22831457 0.84 ALDH1A1 (0.47) CYP2C19KMT2AMEN1ALDH1A1MAPT
SCHEMBL22831459 0.84 ALDH1A1 (0.44) CYP2C19KMT2AMEN1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293926-B2 Method of producing optically active 4-amino-3-substituted phenylbutanoic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 US 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-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid ALAD, ATP6V1B1, DAO CYP2C19 644/4885KMT2A 2677/4885CYP2D6 493/4885

“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.