SCHEMBL4684657

SCHEMBL4684657

N#Cc1cccc(OCc2cccc(C(=O)O)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.69
MRGPRX4 Q96LA9 14/20 0.66
TP53 P04637 2/20 0.63
PKM P14618 2/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
RAB9A P51151 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63

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
SCHEMBL25203039 0.96 NR4A2 (0.71) NR4A2MRGPRX4
SCHEMBL30391969 0.96 NR4A2 (0.71) NR4A2MRGPRX4
SCHEMBL4684138 0.89 MRGPRX4 (0.70) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL4406160 0.89 NR4A2 (0.87) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL30392119 0.86 SMPD1 (0.74) NR4A2MRGPRX4SMN1; SMN2RAB9A
SCHEMBL25214512 0.86 SMPD1 (0.74) NR4A2MRGPRX4SMN1; SMN2RAB9A
SCHEMBL851377 0.86 MEN1 (0.68) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL4138759 0.85 NR4A2 (0.81) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL9585749 0.84 FFAR1 (0.60) NR4A2MRGPRX4
SCHEMBL1122713 0.83 NR4A2 (0.94) NR4A2MRGPRX4SMN1; SMN2

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-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP disclosed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US disclosed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US disclosed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 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-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 NR4A2 3598/4885MRGPRX4 3064/4885TP53 2567/4885

“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.