SCHEMBL1109260

SCHEMBL1109260

CC(C)C[C@H](N)C(=O)Nc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.57
CIT O14578 8/20 0.51
ADAM17 P78536 1/20 0.42

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
SCHEMBL10285898 1.00 AAK1 (0.57) AAK1CITADAM17
SCHEMBL14400920 1.00 AAK1 (0.57) AAK1CITADAM17
SCHEMBL13825530 0.93 AAK1 (0.57) AAK1CITADAM17
SCHEMBL405324 0.90 AAK1 (0.46) AAK1
SCHEMBL1109501 0.90 AAK1 (0.44) AAK1CIT
SCHEMBL12064350 0.89 ADAM17 (0.43) AAK1ADAM17
SCHEMBL403411 0.89 AAK1 (0.44) AAK1CIT
SCHEMBL401802 0.89 AAK1 (0.44) AAK1CIT
SCHEMBL12055818 0.89 AAK1 (0.44) AAK1CIT
SCHEMBL1109347 0.87 TAAR1 (0.55)

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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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-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 (4 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 AAK1 3950/4885CIT 3670/4885ADAM17 1862/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS AAK1 3950/4885CIT 3670/4885ADAM17 1862/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS AAK1 3950/4885CIT 3670/4885ADAM17 1862/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS AAK1 3950/4885CIT 3670/4885ADAM17 1862/4885

“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.