SCHEMBL7212002

SCHEMBL7212002

COc1ccc(S(=O)(=O)CC(O)(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)NOCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MMP13 P45452 10/20 0.49
MMP1 P03956 7/20 0.49
MMP9 P14780 3/20 0.49
MMP2 P08253 8/20 0.45
MMP3 P08254 5/20 0.45
ADAMTS4 O75173 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP14 P50281 1/20 0.42
MMP16 P51512 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL7215337 0.84 MMP13 (0.60) MMP13MMP1MMP9MMP2MMP3
SCHEMBL7210446 0.81 MMP13 (0.50) MMP13MMP1MMP9MMP2MMP3
SCHEMBL6962642 0.76 NPC1 (0.55) NPC1RAB9AMMP13MMP1MMP9
SCHEMBL7511347 0.75 ALDH1A1 (0.50) NPC1RAB9AMMP13MMP1MMP9
SCHEMBL7862209 0.75 MMP1 (0.62) NPC1RAB9AMMP1ALDH1A1
SCHEMBL7210477 0.75 MMP1 (0.57) MMP13MMP1MMP9MMP2MMP8
SCHEMBL6381667 0.74 NPC1 (0.56) NPC1RAB9AMMP13MMP1MMP9
SCHEMBL7210895 0.74 MMP9 (0.43) MMP13MMP1MMP9MMP2MMP3
SCHEMBL8843503 0.73 MMP1 (0.52) NPC1RAB9AMMP13MMP1MMP9
SCHEMBL8440143 0.73 NPC1 (0.55) NPC1RAB9AMMP13MMP1MMP9

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 3 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 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 NPC1 2896/4885RAB9A 4505/4885MMP13 5/4885

“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.