SCHEMBL6772882

SCHEMBL6772882

O=C(O)C(CC(O)CSc1nccs1)NS(=O)(=O)c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP13 P45452 2/20 0.44
HRH3 Q9Y5N1 12/20 0.43
KCNH2 Q12809 2/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
LTA4H P09960 3/20 0.40
KCNA5 P22460 2/20 0.39

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
SCHEMBL6768834 0.86 MMP13 (0.53) MMP2MMP13ITGB3ITGA2B
SCHEMBL7489400 0.86 MMP13 (0.53) MMP2MMP13ITGB3ITGA2B
SCHEMBL6773372 0.84 MMP2 (0.49) MMP2MMP13
SCHEMBL7495698 0.84 MMP2 (0.49) MMP2MMP13
SCHEMBL6774034 0.84 MMP2 (0.50) MMP2MMP13
SCHEMBL6768238 0.82 MMP2 (0.49) MMP2MMP13
SCHEMBL6772977 0.82 MMP2 (0.55) MMP2MMP13
SCHEMBL6775359 0.81 MMP2 (0.48) MMP2MMP13
SCHEMBL6771860 0.80 MMP9 (0.45) MMP2MMP13
SCHEMBL6779301 0.79 MMP2 (0.54) MMP2MMP13

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 7 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
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 42/4885HRH3 593/4885

“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.