SCHEMBL315500

SCHEMBL315500

COC(=O)Cc1ccc(Oc2ccc(S(=O)(=O)CC(C)C3CO3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 6/20 0.59
▸ MMP2 P08253 10/20 0.43
▸ MMP14 P50281 5/20 0.43
▸ ADAM17 P78536 1/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP13 P45452 3/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL313884 0.84 MMP9 (0.69) MMP9MMP2MMP14MMP8MMP1
SCHEMBL10238686 0.81 MMP9 (0.71) MMP9MMP2MMP14MMP8MMP1
SCHEMBL315501 0.80 MMP9 (0.56) MMP9MMP2MMP14MMP8MMP1
SCHEMBL12717515 0.77 MMP9 (0.76) MMP9MMP2MMP14MMP8MMP1
SCHEMBL10237374 0.74 MMP9 (1.00) MMP9MMP2MMP14ADAM17MMP8
SCHEMBL11566747 0.74 MMP9 (0.62) MMP9LIPEALDH1A1POLBSMN1; SMN2
SCHEMBL313379 0.73 MMP9 (0.53) MMP9MMP2MMP14ADAM17MMP8
SCHEMBL12748079 0.72 MMP9 (0.60) MMP9MMP2MMP14MMP8LIPE
SCHEMBL257153 0.70 MMP9 (0.57) MMP9ALDH1A1SMN1; SMN2GAA
SCHEMBL23174344 0.70 MMP9 (0.64) MMP9MMP2MMP14MMP8LIPE

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 3/4885MMP14 15/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MMP9 1/4885MMP2 3/4885MMP14 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.

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