SCHEMBL1109488

SCHEMBL1109488

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCc3ccc(F)cc3F)cc2)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
DGAT1 O75907 3/20 0.41
ANPEP P15144 2/20 0.39
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMA5 P28066 1/20 0.39
PSMB4 P28070 1/20 0.39
PSMB6 P28072 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB3 P49720 1/20 0.39
PSMB2 P49721 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
SCHEMBL10286176 0.93 DGAT1 (0.40) HDAC1HDAC6DGAT1ANPEPCSGALNACT1
SCHEMBL405020 0.92 HDAC1 (0.45) HDAC1HDAC6PSMB11PSMA7PSMB1
SCHEMBL13659447 0.91 HDAC1 (0.42) HDAC1HDAC6DGAT1PSMB11PSMA7
SCHEMBL1109473 0.91 ANPEP (0.39) HDAC1HDAC6DGAT1ANPEP
SCHEMBL1109385 0.90 EPHX2 (0.40) HDAC1HDAC6DGAT1PPARG
SCHEMBL1109187 0.89 KDM4E (0.46) HDAC1DGAT1
SCHEMBL1109232 0.88 ANPEP (0.39) HDAC1HDAC6DGAT1ANPEP
SCHEMBL1109211 0.87 LMNA (0.47) HDAC1DGAT1ANPEP
SCHEMBL1109149 0.86 LMNA (0.41) DGAT1ANPEPCSGALNACT1
SCHEMBL1109362 0.86 ANPEP (0.43) HDAC1DGAT1ANPEPCSGALNACT1

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-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

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 HDAC1 824/4885HDAC6 660/4885DGAT1 1874/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885DGAT1 1874/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885DGAT1 1874/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885DGAT1 1874/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885HDAC6 660/4885DGAT1 1874/4885

“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.