SCHEMBL4420945

SCHEMBL4420945

CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1ccccc12)C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 20/20 0.86
MMP13 P45452 14/20 0.86
MMP2 P08253 1/20 0.69
MMP3 P08254 1/20 0.69
MMP9 P14780 1/20 0.69
MMP14 P50281 1/20 0.69

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
SCHEMBL4420941 1.00 MMP12 (0.86) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3091349 0.93 MMP12 (0.83) MMP12MMP13MMP2MMP3MMP9
SCHEMBL27540153 0.93 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4432986 0.93 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3091360 0.91 MMP12 (0.72) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3078555 0.89 MMP12 (0.78) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3072023 0.87 MMP12 (0.75) MMP12MMP13MMP2MMP3MMP9
SCHEMBL3073194 0.87 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL4009639 0.87 MMP12 (1.00) MMP12MMP13MMP2MMP3MMP9
SCHEMBL6340424 0.87 MMP12 (0.80) MMP12MMP13

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624177-B1 Treating diseases in which matrix melatoproteinases are involved such as multiple sclerosis, atherosclerotic plaque rupture, restenosis, aortic aneurism, heart failure, periodontal disease, corneal ulceration, burns, decubital WARNER-LAMBERT COMPANY 2003-09-23 US claimed
EP-0931045-A1 MATRIX METALLOPROTEINASE INHIBITORS AND THEIR THERAPEUTIC USES WARNER-LAMBERT COMPANY (US) 1999-07-28 EP claimed
WO-1998009934-A1 MATRIX METALLOPROTEINASE INHIBITORS AND THEIR THERAPEUTIC USES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO claimed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
US-6620835-B2 Sulfonamide-substituted benzothiophenes (that may be oxidized), carbazoles, fluorenes and fluorenones WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
US-20030032665-A1 Method of inhibiting matrix metalloproteinases O'BRIEN PATRICK MICHAEL (US) 2003-02-13 US disclosed
US-20020049237-A1 Statin-MMP inhibitor combinations NEWTON ROGER SCHOFIELD (US) 2002-04-25 US disclosed
WO-2001090361-A2 MODULATION OF INFLAMMATION BY PROTEASE-TREATED MCP-3 CHEMOKINE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2001-11-29 WO disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
EP-0931045-A1 MATRIX METALLOPROTEINASE INHIBITORS AND THEIR THERAPEUTIC USES WARNER-LAMBERT COMPANY (US) 1999-07-28 EP disclosed
WO-1999021583-A1 METHOD OF INHIBITING METASTASES OF CANCER CELLS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO disclosed
WO-1998009934-A1 MATRIX METALLOPROTEINASE INHIBITORS AND THEIR THERAPEUTIC USES WARNER-LAMBERT COMPANY (US) 1998-03-12 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 (5 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 MMP12 2774/4885MMP13 3376/4885MMP2 1658/4885
US-20030032665-A1 Method of inhibiting matrix metalloproteinases MMP17, MMP1, MMP12 MMP12 3/4885MMP13 11/4885MMP2 5/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 MMP12 2427/4885MMP13 4390/4885MMP2 2127/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 MMP12 3804/4885MMP13 4166/4885MMP2 2619/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP12 21/4885MMP13 13/4885MMP2 19/4885

“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.