SCHEMBL4684286

SCHEMBL4684286

COC(=O)C(=Cc1ccc(C#N)cc1OC[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.36
SYK P43405 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CTSK P43235 3/20 0.34
PTPN1 P18031 5/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
CTSB P07858 3/20 0.33
CTSL P07711 2/20 0.33
RORC P51449 1/20 0.33
PPARA Q07869 1/20 0.33
ABCB1 P08183 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL4684280 1.00 CTSS (0.36) CTSSSYKAAK1CTSKPTPN1
SCHEMBL4684284 1.00 CTSS (0.36) CTSSSYKAAK1CTSKPTPN1
SCHEMBL4685358 0.85 CYP3A4 (0.32)
SCHEMBL4685355 0.85 CYP3A4 (0.32)
SCHEMBL4685353 0.85 CYP3A4 (0.32)
Hydrochloric Acid SCHEMBL4682361 0.85 MEN1 (0.35)
Hydrochloric Acid SCHEMBL4682357 0.85 MEN1 (0.35)
Hydrochloric Acid SCHEMBL4682366 0.85 MEN1 (0.35)
SCHEMBL4685038 0.85 KAT6A (0.36) CTSSCTSKCTSBCTSL
SCHEMBL4686997 0.85 KAT6A (0.36) CTSSCTSKCTSBCTSL

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 CTSS 1896/4885SYK 3003/4885AAK1 200/4885

“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.