SCHEMBL7422337

SCHEMBL7422337

COc1ccc(S(=O)(=O)N[C@H](CC(=O)NCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.62
MMP9 P14780 6/20 0.62
ALDH1A1 P00352 4/20 0.55
BMP1 P13497 3/20 0.55
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
SGMS1 Q86VZ5 1/20 0.52
NPC1 O15118 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
MMP14 P50281 1/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP13 P45452 1/20 0.51
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7422335 1.00 MMP2 (0.62) MMP2MMP9ALDH1A1BMP1PLA2G1B
SCHEMBL7338628 0.80 MMP2 (0.68) MMP2MMP9ALDH1A1BMP1SGMS1
SCHEMBL7338636 0.80 MMP2 (0.68) MMP2MMP9ALDH1A1BMP1SGMS1
SCHEMBL7427424 0.79 MMP2 (0.49) MMP2MMP9ALDH1A1BMP1MMP8
SCHEMBL7481215 0.79 MMP2 (0.49) MMP2MMP9ALDH1A1BMP1MMP8
SCHEMBL7245010 0.79 MMP2 (0.55) MMP2MMP9ALDH1A1BMP1MMP8
SCHEMBL7413170 0.79 MMP2 (0.48) MMP2MMP9ALDH1A1BMP1NPC1
SCHEMBL6075462 0.78 MMP2 (0.53) MMP2MMP9ALDH1A1BMP1MMP8
SCHEMBL6390801 0.78 ADAMTS4 (0.64) MMP2MMP9ALDH1A1MMP8MMP1
SCHEMBL6390804 0.78 ADAMTS4 (0.64) MMP2MMP9ALDH1A1MMP8MMP1

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
EP-0923561-B1 HETEROCYCLIC METALLOPROTEASE INHIBITORS PROCTER & GAMBLE (US) 2002-10-23 EP disclosed
US-6399598-B1 ORAL DISEASES; RHEUMATIC DISEASES; OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY 2002-06-04 US disclosed
US-6121258-A FOR TREATMENT OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS, SKIN DISORDERS, OCULAR DISORDERS, INFLAMMATION, GUM DISEASE THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed
EP-0923561-A1 HETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-06-23 EP disclosed
WO-1998008823-A1 HETEROCYCLIC METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed