SCHEMBL1109402

SCHEMBL1109402

CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccccc1)C(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
MMP13 P45452 2/20 0.48
SYK P43405 1/20 0.47

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
SCHEMBL1109249 0.94 CTSB (0.52) CTSSCTSKCTSBMMP13SYK
SCHEMBL1105581 0.91 HDAC1 (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL1105583 0.90 CTSB (0.43) CTSB
SCHEMBL1105673 0.88
SCHEMBL4232381 0.88
SCHEMBL14224541 0.87 HDAC1 (0.46) CTSSCTSKCTSBMMP13
SCHEMBL1109331 0.87 HDAC1 (0.46) CTSSCTSKCTSBMMP13
SCHEMBL13659637 0.86 CTSB (0.47) CTSSCTSKCTSBMMP13SYK
SCHEMBL1912192 0.85 TAS1R3 (0.52) CTSSCTSKCTSLSYK
SCHEMBL13818592 0.85 MEN1 (0.50) CTSSCTSKCTSLCTSB

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 9 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-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-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 CTSS 300/4885CTSK 430/4885CTSL 127/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CTSS 300/4885CTSK 430/4885CTSL 127/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CTSS 300/4885CTSK 430/4885CTSL 127/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSS 300/4885CTSK 430/4885CTSL 127/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CTSS 300/4885CTSK 430/4885CTSL 127/4885

“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.