SCHEMBL405125

SCHEMBL405125

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.66
MMP2 P08253 9/20 0.66
MMP13 P45452 9/20 0.66
MMP1 P03956 9/20 0.66
MMP3 P08254 7/20 0.66
MMP7 P09237 7/20 0.66
ADAMTS4 O75173 2/20 0.66
ADAM17 P78536 3/20 0.57
MMP14 P50281 2/20 0.57
ADAM10 O14672 1/20 0.57
MMP8 P22894 1/20 0.57

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
SCHEMBL4915104 1.00 MMP9 (0.66) MMP9MMP2MMP13MMP1MMP3
SCHEMBL32691800 0.90 MMP2 (0.80) MMP9MMP2MMP13MMP1MMP3
SCHEMBL254535 0.88 MMP1 (0.65) MMP9MMP2MMP13MMP1MMP3
SCHEMBL4916984 0.84 MMP9 (0.60) MMP9MMP2MMP13MMP1MMP3
SCHEMBL14025839 0.84 MMP9 (0.60) MMP9MMP2MMP13MMP1MMP3
SCHEMBL5692574 0.84 ADAMTS4 (0.75) MMP9MMP2MMP13MMP1MMP3
SCHEMBL14045736 0.82 ADAMTS4 (0.64) MMP9MMP2MMP13MMP1MMP3
SCHEMBL14025842 0.81 ADAM17 (0.60) MMP9MMP2MMP13MMP1MMP3
SCHEMBL4925808 0.81 ADAM17 (0.60) MMP9MMP2MMP13MMP1MMP3
SCHEMBL7380440 0.81 MMP13 (0.77) MMP9MMP2MMP13MMP1MMP3

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 MMP9 1472/4885MMP2 450/4885MMP13 2053/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MMP9 1472/4885MMP2 450/4885MMP13 2053/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MMP9 1472/4885MMP2 450/4885MMP13 2053/4885

“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.