SCHEMBL313380

SCHEMBL313380

CCC(C1CS1)S(=O)(=O)c1ccc(Oc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.47
MMP2 P08253 15/20 0.42
MMP8 P22894 8/20 0.42
MMP14 P50281 11/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
SRD5A2 P31213 2/20 0.41
MMP1 P03956 2/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL313885 0.89 MMP9 (0.62) MMP9MMP2MMP8MMP14MMP3
SCHEMBL313379 0.79 MMP9 (0.53) MMP9MMP2MMP8MMP14MMP3
SCHEMBL315501 0.75 MMP9 (0.56) MMP9MMP2MMP8MMP14MMP3
SCHEMBL10237397 0.74 MMP9 (0.76) MMP9MMP2MMP8MMP14MMP3
SCHEMBL11562112 0.72 SRD5A2 (0.55) MMP9MMP2MMP8MMP14SRD5A2
SCHEMBL21243832 0.70 SRD5A2 (0.72) SRD5A2
SCHEMBL2999416 0.70 SRD5A2 (0.72) SRD5A2
SCHEMBL12717518 0.70 MMP9 (0.55) MMP9MMP2MMP8MMP14MMP3
SCHEMBL313884 0.68 MMP9 (0.69) MMP9MMP2MMP8MMP14MMP3
SCHEMBL16799991 0.68 PTGDR2 (0.49)

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 5 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
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 WO 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 MMP9 1/4885MMP2 3/4885MMP8 14/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MMP9 1/4885MMP2 3/4885MMP8 12/4885

“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.