SCHEMBL313440

SCHEMBL313440

CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C3(C)CO3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.55
MMP9 P14780 4/20 0.55
MMP1 P03956 2/20 0.55
MMP8 P22894 2/20 0.55
MMP3 P08254 1/20 0.55
MMP7 P09237 1/20 0.55
MMP14 P50281 1/20 0.55
PLA2G7 Q13093 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HSP90AA1 P07900 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
IDO1 P14902 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL314065 0.83 MMP2 (0.57) MMP2MMP9MMP1MMP8MMP3
SCHEMBL314081 0.82 PGR (0.55) MMP2MMP9MMP1MMP3MMP14
SCHEMBL4294133 0.80 LMNA (0.50) MMP2MMP9MMP1MMP8MMP3
SCHEMBL10536063 0.79 PKM (0.70) MMP2MMP9MMP1MMP8MMP3
SCHEMBL9815431 0.79 PKM (0.70) MMP2MMP9MMP1MMP8MMP3
SCHEMBL11239362 0.78 MMP2 (0.60) MMP2MMP9MMP1MMP8MMP3
SCHEMBL6516221 0.77 KMT2A (0.73) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL31500692 0.77 MMP2 (0.59) MMP2MMP9MMP1MMP8MMP3
SCHEMBL11242568 0.76 LMNA (0.69) MMP2MMP9MMP1MMP8MMP3
SCHEMBL11236109 0.74 ALDH1A1 (0.67) MMP2MMP9MMP1MMP8MMP3

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 MMP2 3/4885MMP9 1/4885MMP1 2/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MMP2 3/4885MMP9 1/4885MMP1 2/4885

“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.