SCHEMBL10239052

SCHEMBL10239052

O=S(=O)(CC1CS1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.70
MMP9 P14780 19/20 0.70
MMP14 P50281 15/20 0.70
MMP8 P22894 9/20 0.70
MMP7 P09237 7/20 0.70
MMP3 P08254 6/20 0.70
MMP1 P03956 2/20 0.70
ADAM17 P78536 1/20 0.70
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA5B Q9Y2D0 1/20 0.56

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
SCHEMBL10238448 0.96 MMP2 (0.78) MMP2MMP9MMP14MMP8MMP7
SCHEMBL2684163 0.82 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP7
SCHEMBL10187472 0.81 MMP2 (0.66) MMP2MMP9MMP14MMP8MMP7
SCHEMBL10239044 0.80 MMP2 (0.73) MMP2MMP9MMP14MMP8MMP7
SCHEMBL10239036 0.79 MMP9 (0.71) MMP2MMP9MMP14MMP8MMP7
SCHEMBL10238440 0.76 MMP2 (0.80) MMP2MMP9MMP14MMP8MMP7
SCHEMBL10238452 0.75 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP7
SCHEMBL12747549 0.75 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP7
SCHEMBL7108878 0.75 CA12 (0.74) MMP2MMP9MMP14MMP1ADAM17
SCHEMBL10238435 0.74 MMP2 (0.57) MMP2MMP9MMP14MMP8MMP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 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 (2 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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 MMP2 3/4885MMP9 1/4885MMP14 15/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MMP2 3/4885MMP9 1/4885MMP14 16/4885

“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.