SCHEMBL6768648

SCHEMBL6768648

COc1ccc(-c2ccc(S(=O)(=O)NC3CC(CSCc4ccccc4)OC3=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MMP2 P08253 10/20 0.42
MMP3 P08254 9/20 0.42
MMP1 P03956 8/20 0.42
MMP13 P45452 8/20 0.42
MMP9 P14780 4/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
MMP7 P09237 3/20 0.38
TP53 P04637 1/20 0.38

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 0.87 CA12 (0.43) KCNA5ALDH1A1MMP2MMP3MMP1
SCHEMBL6771966 0.82 ALDH1A1 (0.44) KCNA5ALDH1A1MMP2MMP3MMP1
SCHEMBL6771937 0.77 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL6772307 0.77 ALDH1A1 (0.39) ALDH1A1MMP2MMP3MMP1MMP13
SCHEMBL6772860 0.77 MMP2 (0.39) ALDH1A1MMP2MMP3MMP1MMP13
SCHEMBL6773324 0.75 HSD11B1 (0.39) ALDH1A1MMP2MMP13MMP9CA1
SCHEMBL7765802 0.71 CRBN (0.54) ALDH1A1MMP2MMP3MMP1MMP13
SCHEMBL7767198 0.67 CRBN (0.49) ALDH1A1POLBSMN1; SMN2LMNAGAA
SCHEMBL7764957 0.65 CRBN (0.48) ALDH1A1MMP2MMP3MMP1MMP13
SCHEMBL6773070 0.64 MMP2 (0.61) MMP2MMP3MMP1MMP13MMP9

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 KCNA5 1731/4885ALDH1A1 966/4885MMP2 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.