SCHEMBL7417823

SCHEMBL7417823

COc1ccc(S(=O)(=O)NC(C(O)=S)C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.54
MMP9 P14780 8/20 0.54
MMP13 P45452 7/20 0.54
MMP8 P22894 6/20 0.54
MMP1 P03956 5/20 0.54
MMP3 P08254 3/20 0.54
MMP7 P09237 3/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ALDH1A1 P00352 4/20 0.50
MMP14 P50281 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 3/20 0.47
ADAM17 P78536 1/20 0.46

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
SCHEMBL7413840 0.86 MMP2 (0.53) MMP2MMP9MMP13MMP8MMP1
SCHEMBL7415997 0.79 MMP2 (0.50) MMP2MMP9MMP13MMP8MMP1
SCHEMBL7381562 0.77 SLC1A3 (0.55) MMP2MMP9MMP13MMP8MMP1
SCHEMBL7417820 0.77 SLC1A3 (0.55) MMP2MMP9MMP13MMP8MMP1
SCHEMBL5839717 0.74 MMP9 (0.92) MMP2MMP9MMP13MMP8MMP1
SCHEMBL2161549 0.74 MMP9 (0.92) MMP2MMP9MMP13MMP8MMP1
SCHEMBL2161452 0.74 MMP9 (0.92) MMP2MMP9MMP13MMP8MMP1
SCHEMBL7354064 0.73 MMP9 (0.69) MMP2MMP9MMP13MMP1MMP3
SCHEMBL5198657 0.73 LMNA (0.68) MMP2MMP9MMP13MMP8MMP1
SCHEMBL4618694 0.73 MMP2 (0.68) MMP2MMP9MMP13MMP8MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed