SCHEMBL12717422

SCHEMBL12717422

Cc1cc(-c2ccccc2)cc(S(=O)(=O)CC2CS2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 20/20 0.51
▸ MMP9 P14780 20/20 0.51
▸ MMP14 P50281 16/20 0.51
▸ MMP3 P08254 8/20 0.51
▸ MMP7 P09237 6/20 0.51
▸ MMP8 P22894 5/20 0.51
▸ MMP1 P03956 2/20 0.51
▸ ADAM17 P78536 1/20 0.51

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
SCHEMBL10239044 0.77 MMP2 (0.73) MMP2MMP9MMP14MMP3MMP7
SCHEMBL8475151 0.71 CA2 (0.57) —
SCHEMBL10187472 0.69 MMP2 (0.66) MMP2MMP9MMP14MMP3MMP7
SCHEMBL25762191 0.68 RXRA (0.38) —
SCHEMBL12746769 0.68 MMP2 (0.57) MMP2MMP9MMP14MMP3MMP7
SCHEMBL2684163 0.68 MMP2 (1.00) MMP2MMP9MMP14MMP3MMP7
SCHEMBL2380308 0.68 MMP2 (0.76) MMP2MMP9MMP14MMP3MMP7
SCHEMBL10187468 0.67 MMP2 (0.76) MMP2MMP9MMP14MMP3MMP7
SCHEMBL10187471 0.67 MMP2 (0.62) MMP2MMP9MMP14MMP3MMP7
SCHEMBL24444327 0.65 ALDH1A1 (0.53) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.

Send feedback