SCHEMBL4685331

SCHEMBL4685331

N=C(N)c1ccc(CC(=O)C(=O)O)c(OC[C@@H](CCC(=O)OC(=O)C(F)(F)F)NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.46
F2 P00734 7/20 0.46
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
PLAU P00749 5/20 0.37
PLG P00747 2/20 0.35
PLAT P00750 2/20 0.35
KLKB1 P03952 2/20 0.35
PRSS1 P07477 2/20 0.35
KLK1 P06870 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL4685327 0.95 F10 (0.47) F10F2ITGB3ITGA2BPLAU
Trifluoroacetic Acid SCHEMBL4685323 0.91 F10 (0.48) F10F2ITGB3ITGA2BPLAU
SCHEMBL4682219 0.91 F10 (0.46) F10F2PLGPRSS1
Trifluoroacetic Acid SCHEMBL4685317 0.85 F10 (0.50) F10F2ITGB3ITGA2BPLAU
SCHEMBL4685309 0.82 F10 (0.45) F10F2PRSS1
SCHEMBL4685823 0.81 F10 (0.42) F10F2
SCHEMBL4681381 0.81 F10 (0.42) F10F2PRSS1
SCHEMBL3969718 0.81 F10 (0.57) F10F2ITGB3ITGA2BPLG
Trifluoroacetic Acid SCHEMBL4682216 0.81 F10 (0.48) F10F2PRSS1
SCHEMBL4687811 0.81 F10 (0.43) F10F2

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 2/4885ITGB3 3078/4885

“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.