SCHEMBL6579753

SCHEMBL6579753

CC(C)[C@@H](NS(=O)(=O)c1ccc2c3c(oc2c1)CCC3)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.52
MMP12 P39900 6/20 0.52
MMP1 P03956 5/20 0.50
MMP2 P08253 5/20 0.50
MMP3 P08254 5/20 0.50
MMP7 P09237 5/20 0.50
MMP9 P14780 5/20 0.50
NLRP3 Q96P20 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6577251 1.00 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6579833 0.98 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL7486683 0.98 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6579654 0.98 MMP13 (0.52) MMP13MMP12MMP1MMP2MMP3
SCHEMBL7430753 0.97 MMP13 (0.51) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6577310 0.97 MMP13 (0.51) MMP13MMP12MMP1MMP2MMP3
SCHEMBL6577479 0.97 MMP13 (0.51) MMP13MMP12MMP1MMP2MMP3
SCHEMBL7430701 0.89 MMP12 (0.65) MMP13MMP12MMP2MMP3MMP9
SCHEMBL6579575 0.89 MMP12 (0.65) MMP13MMP12MMP2MMP3MMP9
SCHEMBL6579319 0.89 MMP12 (0.65) MMP13MMP12MMP2MMP3MMP9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100792-B1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2004-03-17 EP claimed
US-6492422-B2 GELATINASE A, COLLAGENASE-3, AND STROMELYSIN-1 INHIBITOR AND USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AROTIC ANEURYSM, HEART FAILURE, RESTENOSIS, PERIODONTAL DISEASE OR AUTOIMMUNE WARNER-LAMBERT COMPANY 2002-12-10 US claimed
US-20020169164-A1 Tricyclic sulfonamides and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2002-11-14 US claimed
EP-1100792-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2001-05-23 EP claimed
WO-2000006561-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
EP-1100792-B1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2004-03-17 EP disclosed
US-6492422-B2 GELATINASE A, COLLAGENASE-3, AND STROMELYSIN-1 INHIBITOR AND USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AROTIC ANEURYSM, HEART FAILURE, RESTENOSIS, PERIODONTAL DISEASE OR AUTOIMMUNE WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
US-20020169164-A1 Tricyclic sulfonamides and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2002-11-14 US disclosed
US-6420408-B1 MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, CARDIOVASCULAR DISORDERS, RESTENOSIS, PERIODONTAL DISEASE, AUTOIMMUNE OR INFLAMMATORY DISORDERS, ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, CEREBRAL AMYLOID ANGIOPATHY, WARNER-LAMBERT COMPANY 2002-07-16 US disclosed
EP-1100792-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2001-05-23 EP disclosed
WO-2000006561-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 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-20020169164-A1 Tricyclic sulfonamides and their derivatives as inhibitors of matrix metalloproteinases MMP3, MMP12, MMP8 MMP13 6/4885MMP12 2/4885MMP1 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.