SCHEMBL406333

SCHEMBL406333

NC[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.48
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
MMP8 P22894 5/20 0.48
NPC1 O15118 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
SCHEMBL440996 0.96 MMP13 (0.52) MMP13MMP2MMP9MMP8
SCHEMBL13244690 0.92 MMP13 (0.47) MMP13MMP2MMP9MMP8NPC1
SCHEMBL13244619 0.92 MMP13 (0.47) MMP13MMP2MMP9MMP8NPC1
SCHEMBL403803 0.91 ALK (0.43)
SCHEMBL1109236 0.89 HDAC1 (0.53) NPC1
SCHEMBL13984642 0.89 NPC1 (0.52) NPC1
SCHEMBL13244524 0.88 MMP13 (0.44) MMP13MMP2MMP9MMP8NPC1
SCHEMBL3014393 0.88 MMP13 (0.44) MMP13MMP2MMP9MMP8NPC1
SCHEMBL13244680 0.88 MMP13 (0.44) MMP13MMP2MMP9MMP8NPC1
SCHEMBL3014407 0.88 MMP13 (0.44) MMP13MMP2MMP9MMP8NPC1

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 21 patents — showing the first 20. 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-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-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-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-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-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-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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (7 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 MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MMP13 2053/4885MMP2 450/4885MMP9 1472/4885

“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.