SCHEMBL6775181

SCHEMBL6775181

COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3nc4cc(OC)ccc4[nH]3)C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.47
MMP13 P45452 12/20 0.47
MMP3 P08254 9/20 0.47
MMP1 P03956 8/20 0.47
MMP9 P14780 8/20 0.46
MMP8 P22894 3/20 0.45
MMP7 P09237 3/20 0.43
ADAMTS4 O75173 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL6775193 0.93 CYP1A2 (0.50) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6775390 0.92 MMP2 (0.52) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6775910 0.85 MMP2 (0.51) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6892928 0.82 PPARA (0.48) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6780751 0.81 MMP2 (0.49) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6767954 0.81 MMP2 (0.57) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7498767 0.81 MMP2 (0.51) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6768133 0.81 MMP2 (0.51) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6774032 0.79 MMP2 (0.58) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6773472 0.79 MMP2 (0.53) MMP2MMP13MMP3MMP1MMP9

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 MMP2 10/4885MMP13 42/4885MMP3 14/4885

“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.