SCHEMBL7414533

SCHEMBL7414533

COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)c(C(N)=O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.56
MMP2 P08253 5/20 0.56
FPR2 P25090 1/20 0.48
PROKR1 Q8TCW9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
MMP12 P39900 1/20 0.44
SLC6A9 P48067 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.41
MCHR1 Q99705 2/20 0.41

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
SCHEMBL5898986 0.89 MMP13 (0.69) MMP13MMP2FPR2PROKR1ALDH1A1
SCHEMBL7431658 0.88 ACLY (0.49) MMP13MMP2FPR2PROKR1ALDH1A1
SCHEMBL7435579 0.83 HTR2C (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7432639 0.83 HSD17B10 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8361679 0.80 MMP13 (0.64) MMP13MMP2FPR2PROKR1SMN1; SMN2
SCHEMBL5898978 0.79 MMP13 (0.60) MMP13MMP2SMN1; SMN2MAPTMEN1
SCHEMBL8364987 0.79 MMP13 (0.78) MMP13MMP2FPR2PROKR1SMN1; SMN2
SCHEMBL7764828 0.77 MMP13 (0.78) MMP13MMP2FPR2PROKR1SMN1; SMN2
SCHEMBL8363036 0.77 MMP13 (0.64) MMP13MMP2FPR2PROKR1SMN1; SMN2
SCHEMBL5898961 0.77 MMP2 (0.52) MMP13MMP2FPR2PROKR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140178-A2 USE OF A MATRIX METALLAPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
EP-1140182-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENT, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038717-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038718-A2 USE OF MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENTS, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 WO claimed
EP-1140182-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENT, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140178-A2 USE OF A MATRIX METALLAPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
EP-1140183-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038717-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed
WO-2000038718-A2 USE OF MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENTS, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed