SCHEMBL6772860

SCHEMBL6772860

O=C1OC(CSc2ccccc2)CC1NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.39
MMP9 P14780 7/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 2/20 0.39
MMP13 P45452 2/20 0.39
MMP14 P50281 2/20 0.39
UCHL1 P09936 3/20 0.36
USP30 Q70CQ3 3/20 0.36
F10 P00742 1/20 0.36
GAA P10253 2/20 0.36
MMP12 P39900 2/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ADAMTS4 O75173 1/20 0.35
DCK P27707 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGIR P43119 1/20 0.34
PTGDR Q13258 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6768634 0.91 CA12 (0.43) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6768648 0.77 KCNA5 (0.43) MMP2MMP9MMP1MMP3MMP13
SCHEMBL19359184 0.64 CRBN (0.54) MMP2MMP9MMP1MMP3MMP13
SCHEMBL28713447 0.64 SMN1; SMN2 (0.63) MMP2MMP9MMP1MMP3MMP13
SCHEMBL25834431 0.63 MMP2 (0.46) MMP2MMP9MMP1MMP3MMP13
SCHEMBL5881800 0.62 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP13
SCHEMBL4701825 0.62 F10 (0.54) MMP2MMP9MMP1MMP3MMP13
SCHEMBL14040501 0.62 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP13
SCHEMBL23052370 0.62 KDM4E (0.76) MMP2MMP9MMP1MMP3MMP13
SCHEMBL28714130 0.61 PSEN1 (0.51) MMP2MMP9MMP1MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 10/4885MMP9 7/4885MMP1 28/4885

“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.