SCHEMBL2876201

SCHEMBL2876201

O=C(O)NCC(NCc1ccc(C#CC#Cc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.42
MEP1B Q16820 2/20 0.42
CTSK P43235 1/20 0.40

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
SCHEMBL2876198 1.00 ANPEP (0.42) ANPEPMEP1BCTSK
SCHEMBL405951 0.85 MEP1B (0.43) ANPEPMEP1B
SCHEMBL12056257 0.85 CTSS (0.41) ANPEPCTSK
SCHEMBL2875949 0.81 ANPEP (0.45) ANPEPMEP1BCTSK
SCHEMBL4232154 0.81 ANPEP (0.45) ANPEPMEP1BCTSK
SCHEMBL4232159 0.81 ANPEP (0.45) ANPEPMEP1BCTSK
SCHEMBL2873414 0.81 CTSB (0.43)
SCHEMBL4525648 0.81 CTSB (0.43)
SCHEMBL4534760 0.80 FFAR1 (0.45) MEP1B
SCHEMBL403767 0.78 MMP2 (0.41) ANPEPMEP1BCTSK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US 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 (5 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885MEP1B 1047/4885CTSK 430/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885MEP1B 1047/4885CTSK 430/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885MEP1B 1047/4885CTSK 430/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885MEP1B 1047/4885CTSK 430/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ANPEP 744/4885MEP1B 1047/4885CTSK 430/4885

“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.