SCHEMBL4686997

SCHEMBL4686997

COC(=O)/C(=C\c1ccc(C#N)cc1OC[C@@H](CCC(=O)OCc1ccccc1)NC(=O)c1cccc(-c2ccc(C#N)cc2)c1)NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.36
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
CTSS P25774 3/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PTGER1 P34995 1/20 0.33
HDAC1 Q13547 1/20 0.33
PLAU P00749 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MME P08473 1/20 0.32
SMPD1 P17405 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIN1 Q13526 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4687000 1.00 KAT6A (0.36) KAT6ACTSLCTSBCTSSFNTA
SCHEMBL4685038 1.00 KAT6A (0.36) KAT6ACTSLCTSBCTSSFNTA
Trifluoroacetic Acid SCHEMBL4681491 0.93 SLC2A1 (0.34) KAT6ACTSLCTSBCTSSF10
Trifluoroacetic Acid SCHEMBL4684972 0.92 CTSL (0.35) CTSLCTSBCTSSFNTAFNTB
SCHEMBL4685358 0.92 CYP3A4 (0.32) FNTAFNTBF10PRSS1HDAC1
SCHEMBL4685355 0.92 CYP3A4 (0.32) FNTAFNTBF10PRSS1HDAC1
SCHEMBL4685353 0.92 CYP3A4 (0.32) FNTAFNTBF10PRSS1HDAC1
Trifluoroacetic Acid SCHEMBL4681505 0.90 F10 (0.38) CTSLCTSBCTSSF10PRSS1
Trifluoroacetic Acid SCHEMBL4684645 0.89 CTSL (0.38) CTSLCTSBCTSSHDAC1
SCHEMBL4684280 0.85 CTSS (0.36) CTSLCTSBCTSSCTSK

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 KAT6A 2152/4885CTSL 703/4885CTSB 1825/4885

“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.