SCHEMBL4687811

SCHEMBL4687811

Cc1nc2ccc(C(=O)N[C@H](CCC(=O)OC(=O)C(F)(F)F)COc3cc(C(=N)N)ccc3CC(=O)C(=O)O)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.43
F2 P00734 3/20 0.42
TMPRSS15 P98073 9/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PDE4B Q07343 1/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4685823 0.93 F10 (0.42) F10F2TMPRSS15RAB9AMAPT
Trifluoroacetic Acid SCHEMBL4687800 0.91 F10 (0.46) F10F2TMPRSS15RAB9APOLB
Trifluoroacetic Acid SCHEMBL4685812 0.84 F10 (0.45) F10F2TMPRSS15RAB9ANPC1
SCHEMBL4682219 0.83 F10 (0.46) F10F2
SCHEMBL4685331 0.81 F10 (0.46) F10F2
SCHEMBL4685309 0.80 F10 (0.45) F10F2
SCHEMBL3969718 0.79 F10 (0.57) F10F2TMPRSS15
SCHEMBL4685327 0.79 F10 (0.47) F10F2RAB9ANPC1MEN1
SCHEMBL4684991 0.79 F10 (0.43) F10F2
SCHEMBL4681381 0.78 F10 (0.42) 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 2/4885TMPRSS15 190/4885

“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.