SCHEMBL6772772

SCHEMBL6772772

COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSCc3ccco3)C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MMP2 P08253 14/20 0.50
MMP13 P45452 11/20 0.50
MMP3 P08254 7/20 0.50
MMP9 P14780 7/20 0.50
MMP1 P03956 6/20 0.50
MMP8 P22894 2/20 0.50
MMP7 P09237 1/20 0.46
ADAMTS4 O75173 1/20 0.44

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
SCHEMBL6773070 0.86 MMP2 (0.61) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7241115 0.86 MMP2 (0.56) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6767930 0.84 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHTTHSD17B10
SCHEMBL6779533 0.82 MMP2 (0.52) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6774032 0.80 MMP2 (0.58) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6767954 0.80 MMP2 (0.57) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6772197 0.79 MMP2 (0.50) MMP2MMP13MMP3MMP9MMP1
SCHEMBL6773472 0.78 MMP2 (0.53) MMP2MMP13MMP3MMP9MMP1
SCHEMBL11556354 0.77 ALDH1A1 (0.46) ALDH1A1MAPTPOLBALOX15MAPK1
SCHEMBL7246126 0.77 MMP2 (0.52) MMP2MMP13MMP3MMP9MMP1

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 ALDH1A1 966/4885MAPT 4166/4885POLB 1290/4885

“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.