SCHEMBL6892928

SCHEMBL6892928

COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3nc4cc(OC)ccc4s3)C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.48
MMP2 P08253 10/20 0.47
MMP13 P45452 8/20 0.47
MMP1 P03956 6/20 0.47
MMP3 P08254 6/20 0.47
CA9 Q16790 1/20 0.46
MMP9 P14780 6/20 0.46
MMP8 P22894 2/20 0.45
MMP7 P09237 1/20 0.43
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 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
SCHEMBL6768923 0.92 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6779488 0.88 MAPT (0.51) PPARAMMP2MMP9HPGDMEN1
SCHEMBL6778013 0.83 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6773143 0.83 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6775181 0.82 MMP2 (0.47) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6773318 0.81 MMP2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7495698 0.81 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6773372 0.81 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6767954 0.81 MMP2 (0.57) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6768133 0.81 MMP2 (0.51) MMP2MMP13MMP1MMP3MMP9

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 11 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-0873427-B1 PROCESS FOR DETECTING AND QUANTIFYING NUCLEIC ACID MOLECULES NOVEMBER AG MOLEKULARE MEDIZIN (DE) 2002-08-28 EP 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 PPARA 2854/4885MMP2 10/4885MMP13 42/4885

“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.