SCHEMBL7210461

SCHEMBL7210461

CCCCc1ccc(S(=O)(=O)CC(O)(CS(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.54
MMP9 P14780 7/20 0.54
MMP1 P03956 9/20 0.49
ADAM17 P78536 4/20 0.48
BMP1 P13497 3/20 0.47
MMP2 P08253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.45
MMP3 P08254 1/20 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
SCHEMBL7210477 0.88 MMP1 (0.57) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7210912 0.82 MMP1 (0.51) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7215337 0.80 MMP13 (0.60) MMP13MMP9MMP1MMP2MMP3
SCHEMBL7215391 0.76 ALDH1A1 (0.55) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7216647 0.75 MMP1 (0.54) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL7210980 0.73 MMP13 (0.52) MMP13MMP9MMP1MMP2ALDH1A1
SCHEMBL7212125 0.73 MMP13 (0.50) MMP13MMP9MMP1ADAM17BMP1
SCHEMBL7210485 0.72 MMP1 (0.49) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL6768715 0.72 KDM4E (0.57) KMT2A
SCHEMBL7216935 0.72 MMP1 (0.47) MMP13MMP9MMP1ADAM17MMP2

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 9 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
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP claimed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 WO 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
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP disclosed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 MMP13 5/4885MMP9 20/4885MMP1 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.