SCHEMBL1109331

SCHEMBL1109331

CC(C)(C)OC(=O)NCC(=O)NC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
ADAMTS4 O75173 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP13 P45452 2/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 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
SCHEMBL14224541 1.00 HDAC1 (0.46) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL1109249 0.92 CTSB (0.52) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL403664 0.90 MMP13 (0.40) MMP13
SCHEMBL14195926 0.90 MMP13 (0.40) MMP13
SCHEMBL1109344 0.90 DRD2 (0.41) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL1912232 0.88 HDAC1 (0.47) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL13659690 0.88 HDAC1 (0.47) HDAC1CTSBCTSSCTSKADAMTS4
SCHEMBL1109116 0.88 HDAC1 (0.47) HDAC1CTSBMAPT
SCHEMBL1109402 0.87 CTSS (0.49) CTSBCTSSCTSKMMP13
SCHEMBL13659637 0.84 CTSB (0.47) HDAC1CTSBCTSSCTSKADAMTS4

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-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-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 824/4885CTSB 259/4885CTSS 300/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC1 824/4885CTSB 259/4885CTSS 300/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885CTSB 259/4885CTSS 300/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC1 824/4885CTSB 259/4885CTSS 300/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC1 824/4885CTSB 259/4885CTSS 300/4885

“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.