SCHEMBL404336

SCHEMBL404336

C[C@@H](O)[C@@H](C(=O)NO)N(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.65
MMP9 P14780 15/20 0.61
MMP2 P08253 15/20 0.61
MMP1 P03956 11/20 0.61
MMP14 P50281 8/20 0.61
MMP13 P45452 8/20 0.61
MMP8 P22894 6/20 0.61
MMP3 P08254 5/20 0.61
ADAM17 P78536 5/20 0.61
MMP16 P51512 4/20 0.61
MMP12 P39900 2/20 0.61
NPC1 O15118 1/20 0.61
MTOR P42345 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL4530951 0.87 MMP2 (0.61) ADAMTS4MMP9MMP2MMP1MMP14
SCHEMBL7534320 0.78 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7537902 0.78 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7534325 0.78 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7537906 0.78 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7533351 0.77 MMP9 (0.71) ADAMTS4MMP9MMP2MMP1MMP14
SCHEMBL7533354 0.77 MMP9 (0.71) ADAMTS4MMP9MMP2MMP1MMP14
SCHEMBL7533675 0.77 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL7533681 0.77 MMP9 (0.53) MMP9MMP2MMP1MMP14MMP13
SCHEMBL20214127 0.76 MMP2 (1.00) ADAMTS4MMP9MMP2MMP1MMP14

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 29 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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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-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-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 (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 ADAMTS4 3250/4885MMP9 1472/4885MMP2 450/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADAMTS4 3250/4885MMP9 1472/4885MMP2 450/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ADAMTS4 3250/4885MMP9 1472/4885MMP2 450/4885

“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.