SCHEMBL4685309

SCHEMBL4685309

N=C(N)c1ccc(CC(=O)C(=O)O)c(OC[C@@H](CCC(=O)OC(=O)C(F)(F)F)NC(=O)c2ccc3c(c2)OCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.45
F2 P00734 4/20 0.43
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL4685301 0.91 F10 (0.48) F10F2TAS1R3TAS1R1SMN1; SMN2
SCHEMBL4684495 0.90 F10 (0.41) F10F2TAS1R3TAS1R1PRSS1
SCHEMBL4681065 0.88 F10 (0.40) F10F2TAS1R3TAS1R1PRSS1
SCHEMBL4682219 0.84 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL4685331 0.82 F10 (0.46) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL4684485 0.81 F10 (0.44) F10F2TAS1R3TAS1R1PRSS1
SCHEMBL4685823 0.81 F10 (0.42) F10F2SMN1; SMN2
SCHEMBL4687811 0.80 F10 (0.43) F10F2
SCHEMBL4685327 0.79 F10 (0.47) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL4681055 0.79 F10 (0.43) F10F2TAS1R3TAS1R1PRSS1

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 F10 26/4885F2 2/4885TAS1R3 3011/4885

“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.