SCHEMBL1109397

SCHEMBL1109397

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
ENPP2 Q13822 3/20 0.44
SCN9A Q15858 1/20 0.41
CNR2 P34972 2/20 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
SCHEMBL1912208 1.00 HDAC6 (0.48) HDAC6ENPP2SCN9ACNR2
SCHEMBL1912217 0.91 RAB9A (0.48) ENPP2
SCHEMBL1109274 0.90 KCNH2 (0.45) ENPP2
SCHEMBL1109164 0.90 HDAC6 (0.52) HDAC6
SCHEMBL14400741 0.90 HDAC6 (0.52) HDAC6
SCHEMBL14400851 0.90 HDAC6 (0.52) HDAC6
SCHEMBL402869 0.88
SCHEMBL403872 0.88
SCHEMBL4531423 0.88
SCHEMBL1109389 0.82 HDAC6 (0.43) HDAC6

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 11 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-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 (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 HDAC6 660/4885ENPP2 1892/4885SCN9A 2172/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885ENPP2 1892/4885SCN9A 2172/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC6 660/4885ENPP2 1892/4885SCN9A 2172/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885ENPP2 1892/4885SCN9A 2172/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC6 660/4885ENPP2 1892/4885SCN9A 2172/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC6 660/4885ENPP2 1892/4885SCN9A 2172/4885

“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.