SCHEMBL6773728

SCHEMBL6773728

COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CSc3nnc(-c4ccncc4)o3)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
MMP2 P08253 7/20 0.46
MMP13 P45452 5/20 0.46
MMP1 P03956 4/20 0.46
MMP3 P08254 4/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP9 P14780 3/20 0.45

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
SCHEMBL6772710 0.94 ALDH1A1 (0.52) NPC1RAB9ACA12CA1CA2
SCHEMBL6767954 0.80 MMP2 (0.57) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6773472 0.80 MMP2 (0.53) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6774040 0.79 MMP2 (0.49) MMP2MMP13MMP1MMP3ALDH1A1
SCHEMBL7246126 0.79 MMP2 (0.52) L3MBTL1MMP2MMP13MMP1MMP3
SCHEMBL6780751 0.79 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6774032 0.79 MMP2 (0.58) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6773369 0.78 MMP2 (0.54) RAB9AMMP2MMP13MMP1MMP3
SCHEMBL6778013 0.77 MMP2 (0.49) MMP2MMP13MMP1MMP3ALDH1A1
SCHEMBL7495698 0.77 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9

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 GSK3A 2040/4885GSK3B 1898/4885NPC1 3513/4885

“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.