SCHEMBL403968

SCHEMBL403968

CCc1ccc(-c2ccc(C(=O)N[C@H](CCC(=O)O)C(=O)NO)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.58
ADAMTS4 O75173 1/20 0.58
MMP12 P39900 2/20 0.57
MMP2 P08253 1/20 0.57
MMP8 P22894 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA2 P00918 3/20 0.46
CA1 P00915 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45

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
SCHEMBL402674 0.89 ADAMTS5 (0.50) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL1096615 0.89 TAS1R3 (0.49) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL400829 0.86 TAS1R3 (0.51) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL2249688 0.86 MMP12 (0.61) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL4239668 0.85 TAS1R3 (0.50) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL3586210 0.85 ADAMTS5 (0.58) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL404390 0.84 TAS1R3 (0.51) TAS1R3TAS1R1L3MBTL1LMNANPC1
SCHEMBL403129 0.84 TAS1R3 (0.51) TAS1R3TAS1R1L3MBTL1LMNANPC1
SCHEMBL1094797 0.84 TAS1R3 (0.49) ADAMTS5ADAMTS4MMP12MMP2MMP8
SCHEMBL1109147 0.83 TAS1R3 (0.50) TAS1R3TAS1R1L3MBTL1LMNANPC1

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 32 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-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-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-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-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-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-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-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 (3 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 ADAMTS5 3326/4885ADAMTS4 3250/4885MMP12 945/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADAMTS5 3326/4885ADAMTS4 3250/4885MMP12 945/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ADAMTS5 3326/4885ADAMTS4 3250/4885MMP12 945/4885

“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.