SCHEMBL1109362

SCHEMBL1109362

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3cccc(F)c3)cc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
NAMPT P43490 1/20 0.42
ROCK1 Q13464 1/20 0.41
ROCK2 O75116 2/20 0.40
DGAT1 O75907 1/20 0.40
CSGALNACT1 Q8TDX6 1/20 0.40
FPR1 P21462 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
GRM5 P41594 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL404246 0.92 ANPEP (0.41) ANPEPNAMPTGRM5
SCHEMBL1109527 0.92 ROCK1 (0.45) ANPEPNAMPTROCK1ROCK2DGAT1
SCHEMBL1109149 0.92 LMNA (0.41) ANPEPDGAT1CSGALNACT1LMNAHPGD
SCHEMBL13659436 0.91 ANPEP (0.41) ANPEPNAMPTROCK2FPR1LMNA
SCHEMBL1109225 0.91 NAMPT (0.43) ANPEPNAMPTROCK1DGAT1CSGALNACT1
SCHEMBL463223 0.91 ANPEP (0.40) ANPEPNAMPTFPR1GRM5
SCHEMBL1109230 0.90 USP2 (0.42) ROCK2CSGALNACT1LMNAHPGDHDAC1
SCHEMBL1109292 0.89 HDAC1 (0.47) CSGALNACT1HDAC1
SCHEMBL1109211 0.89 LMNA (0.47) ANPEPDGAT1LMNAHPGDHDAC1
SCHEMBL1109298 0.89 RECQL (0.47) LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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 744/4885NAMPT 1048/4885ROCK1 3701/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885NAMPT 1048/4885ROCK1 3701/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885NAMPT 1048/4885ROCK1 3701/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885NAMPT 1048/4885ROCK1 3701/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ANPEP 744/4885NAMPT 1048/4885ROCK1 3701/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ANPEP 744/4885NAMPT 1048/4885ROCK1 3701/4885

“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.