SCHEMBL7210834

SCHEMBL7210834

O=C(NO)C(O)(CSc1ccccc1)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.61
MMP2 P08253 16/20 0.61
MMP1 P03956 10/20 0.61
ADAMTS4 O75173 2/20 0.44
MMP14 P50281 2/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
MEP1B Q16820 1/20 0.44

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
SCHEMBL7210638 0.88 MMP13 (0.50) MMP13MMP2MMP1MMP14
SCHEMBL7216903 0.86 MMP1 (0.49) MMP13MMP2MMP1ADAMTS4MMP14
SCHEMBL6764638 0.84 MMP13 (0.67) MMP13MMP2MMP1ADAMTS4MMP14
SCHEMBL7210443 0.84 MMP13 (0.58) MMP13MMP2MMP1ADAMTS4MMP14
SCHEMBL7215340 0.82 MMP13 (0.50) MMP13MMP2MMP1MMP14
SCHEMBL6774922 0.81 MMP13 (0.67) MMP13MMP2MMP1ADAMTS4MMP14
SCHEMBL7216914 0.79 MMP13 (0.53) MMP13MMP2MMP1MMP14
SCHEMBL6767568 0.78 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6767563 0.78 MMP13 (0.77) MMP13MMP2MMP1
SCHEMBL6769491 0.78 MMP13 (0.77) MMP13MMP2MMP1

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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US claimed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP claimed
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
US-6437177-B1 DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION; ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, DERMAL, OR GASTRIC ULCERATION, AND ASTHMA; 2-HYDROXY-2-(PHENYLTHIO) METHYL-3-(4-BUTOXYBENZENESULFONYL)PROPIONIC ACID PHARMACIA & UPJOHN COMPANY 2002-08-20 US 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 MMP13 5/4885MMP2 8/4885MMP1 1/4885

“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.