SCHEMBL4684053

SCHEMBL4684053

O=C(O)c1cc2c(cc1-c1ccccc1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 13/20 0.48
FABP3 P05413 3/20 0.48
FABP5 Q01469 2/20 0.48
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
PLA2G10 O15496 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
FOLH1 Q04609 1/20 0.41
NOTUM Q6P988 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL4681683 0.85 ALDH1A1 (0.46) FABP4FABP3FABP5NPC1RAB9A
SCHEMBL1664233 0.78 TP53 (0.48) FABP4FABP3FABP5NPC1RAB9A
SCHEMBL4733527 0.77 XDH (0.44) FABP4FABP3FABP5FOLH1PTPN1
SCHEMBL5754427 0.75 FABP4 (0.48) FABP4FABP3FABP5PRKAB2PRKAG1
SCHEMBL20241896 0.75 BCAT2 (0.51) NPC1RAB9A
SCHEMBL4682297 0.74 SMN1; SMN2 (0.65) FABP4FABP3FABP5PRKAB2PRKAG1
SCHEMBL667582 0.74 PTPN1 (0.59) FABP4FABP3FABP5PRKAB2PRKAG1
SCHEMBL11482985 0.73 ESR2 (0.40) FABP4FABP3
SCHEMBL11490989 0.73 PRKAB2 (0.45) FABP4FABP3FABP5PRKAB2PRKAG1
SCHEMBL9171492 0.72 PTPN1 (0.57) FABP4FABP3FABP5PRKAB2PRKAG1

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 FABP4 1144/4885FABP3 1540/4885FABP5 2135/4885

“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.