SCHEMBL6774380

SCHEMBL6774380

COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(O)C(O)CSc3nccs3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.53
MMP2 P08253 9/20 0.53
MMP9 P14780 5/20 0.53
MMP3 P08254 5/20 0.53
MMP1 P03956 4/20 0.53
MMP7 P09237 2/20 0.53
MMP8 P22894 1/20 0.53
ADAMTS4 O75173 10/20 0.51
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MMP14 P50281 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42

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
SCHEMBL6740800 0.95 MMP13 (0.55) MMP13MMP2MMP9MMP3MMP1
SCHEMBL6771930 0.86 MMP13 (0.53) MMP13MMP2MMP9MMP3MMP1
SCHEMBL6773372 0.84 MMP2 (0.49) MMP13MMP2MMP9MMP3MMP1
SCHEMBL7495698 0.84 MMP2 (0.49) MMP13MMP2MMP9MMP3MMP1
SCHEMBL6737736 0.79 MMP13 (0.54) MMP13MMP2MMP9MMP3MMP1
SCHEMBL7391332 0.79 MMP13 (0.54) MMP13MMP2MMP9MMP3MMP1
SCHEMBL6779301 0.77 MMP2 (0.54) MMP13MMP2MMP9MMP3MMP1
SCHEMBL6768607 0.76 ADAMTS4 (0.46) MMP13MMP2MMP3ADAMTS4MMP14
SCHEMBL6775144 0.76 MMP2 (0.47) MMP13MMP2MMP9MMP3MMP1
SCHEMBL6768834 0.76 MMP13 (0.53) MMP13MMP2MMP9MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-04 US claimed
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 US claimed
JP-2002538146-A 2002-11-12 JP claimed
EP-1165530-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP claimed
WO-2000051993-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO claimed
US-6762198-B2 SUCH AS 2-((4'-METHOXY-(1,1'-BIPHENYL)-4-YL)-SULFONYL)-AMINO-3-(2-PHENOXYMETHYL -(1,3)DIOXAN-2-YL)PROPIONIC ACID THE PROCTER & GAMBLE COMPANY 2004-07-13 US disclosed
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-04 US disclosed
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 US disclosed
EP-1165530-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
WO-2000051993-A2 DIHETERO-SUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 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 (1 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-20030225074-A1 Dihetero-substituted metalloprotease inhibitors ADAM9, ADAM17, ADAM8 MMP13 42/4885MMP2 10/4885MMP9 7/4885

“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.