SCHEMBL4424736

SCHEMBL4424736

CC(C)CC(NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.70
MMP12 P39900 14/20 0.70
MMP2 P08253 2/20 0.56
KDM4E B2RXH2 1/20 0.55
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MEN1 O00255 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL27540150 1.00 MMP13 (0.70) MMP13MMP12MMP2KDM4EMMP1
SCHEMBL6413671 0.88 MMP12 (0.69) MMP13MMP12KDM4EMEN1CYP2C9
SCHEMBL23673515 0.88 MMP13 (0.64) MMP13MMP12MMP2KDM4EMMP1
SCHEMBL23673513 0.88 MMP13 (0.64) MMP13MMP12MMP2KDM4EMMP1
SCHEMBL6414491 0.87 MMP12 (0.67) MMP13MMP12MMP2
SCHEMBL23673495 0.87 MMP13 (0.53) MMP13MMP12MMP2KDM4EMMP1
SCHEMBL23693528 0.87 MMP13 (0.60) MMP13MMP12MMP2KDM4EMMP1
SCHEMBL23693194 0.87 MMP13 (0.60) MMP13MMP12MMP2KDM4EMMP1
SCHEMBL23693145 0.87 MMP12 (0.53) MMP13MMP12MMP2KDM4EMMP1
SCHEMBL23693583 0.87 MMP12 (0.53) MMP13MMP12MMP2KDM4EMMP1

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 22 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
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed
US-6906092-B2 Method of inhibiting matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2005-06-14 US 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
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN disclosed
US-6133304-A TREATING FIBROSIS, VENTRICULAR DILATION, AND/OR HEART FAILURE IN A MAMMAL BY ADMINISTERING AN ANTIFIBROTIC AMOUNT OF A MIXTURE OF AN ANGIOTENSIN-CONVERTING ENZYME(ACE) INHIBITOR AND AT LEAST ONE MATRIX METALLOPROTEINASE(MMP) INHIBITOR WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
EP-0931045-A1 MATRIX METALLOPROTEINASE INHIBITORS AND THEIR THERAPEUTIC USES WARNER-LAMBERT COMPANY (US) 1999-07-28 EP disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 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 (4 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-20030032665-A1 Method of inhibiting matrix metalloproteinases MMP17, MMP1, MMP12 MMP13 11/4885MMP12 3/4885MMP2 5/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 MMP13 4390/4885MMP12 2427/4885MMP2 2127/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 MMP13 4166/4885MMP12 3804/4885MMP2 2619/4885
US-20020049237-A1 Statin-MMP inhibitor combinations MMP9, TIMP3, MMP3 MMP13 13/4885MMP12 21/4885MMP2 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.