SCHEMBL6773478

SCHEMBL6773478

C=CC(OCc1ccccc1)C(NS(=O)(=O)c1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
MMP2 P08253 10/20 0.46
MMP13 P45452 10/20 0.46
MMP3 P08254 8/20 0.46
MMP1 P03956 7/20 0.46
MMP7 P09237 7/20 0.46
MMP9 P14780 7/20 0.46
ADAMTS4 O75173 2/20 0.44
MMP14 P50281 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL6769963 0.87 MMP2 (0.60) MMP2MMP13MMP3MMP1MMP7
SCHEMBL7497120 0.87 MMP2 (0.60) MMP2MMP13MMP3MMP1MMP7
SCHEMBL7509479 0.84 CTSL (0.48) CTSLCTSSMMP2MMP13MMP3
SCHEMBL21358189 0.78 MMP13 (0.44) CTSLMMP2MMP13MMP3MMP1
SCHEMBL21358190 0.78 MMP13 (0.44) CTSLMMP2MMP13MMP3MMP1
SCHEMBL7570436 0.76 ADAMTS4 (0.51) MMP2MMP13MMP3MMP1MMP7
SCHEMBL690201 0.75 MMP2 (0.68) MMP2MMP13MMP3MMP1MMP7
SCHEMBL8283226 0.75 MMP2 (0.68) MMP2MMP13MMP3MMP1MMP7
SCHEMBL690202 0.75 MMP2 (0.68) MMP2MMP13MMP3MMP1MMP7
SCHEMBL28430676 0.72 AR (0.58) CTSLCTSSMMP2MMP13MMP3

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 CTSL 105/4885CTSS 72/4885MMP2 10/4885

“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.