SCHEMBL4433720

SCHEMBL4433720

O=C(O)C(CS)NS(=O)(=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.66
MMP13 P45452 9/20 0.66
KEAP1 Q14145 1/20 0.47
BCAT1 P54687 1/20 0.47
HDAC1 Q13547 1/20 0.47
PTGDR Q13258 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 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
SCHEMBL27540111 1.00 MMP12 (0.66) MMP12MMP13KEAP1BCAT1HDAC1
SCHEMBL6416012 0.91 MMP13 (0.64) MMP12MMP13KEAP1BCAT1HDAC1
SCHEMBL6414491 0.89 MMP12 (0.67) MMP12MMP13KEAP1BCAT1HDAC1
SCHEMBL6413671 0.88 MMP12 (0.69) MMP12MMP13KEAP1BCAT1HTT
SCHEMBL6419152 0.88 MMP12 (0.66) MMP12MMP13KEAP1BCAT1HDAC1
SCHEMBL6342584 0.88 MMP12 (0.66) MMP12MMP13KEAP1BCAT1HDAC1
SCHEMBL28747284 0.88 MMP12 (0.66) MMP12MMP13KEAP1BCAT1HDAC1
SCHEMBL27542487 0.87 MMP13 (0.65) MMP12MMP13ALDH1A1POLBLMNA
SCHEMBL4425847 0.87 MMP13 (0.65) MMP12MMP13ALDH1A1POLBLMNA
SCHEMBL7352062 0.86 MMP12 (0.64) MMP12MMP13KEAP1PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP 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-20040029945-A1 Method of inhibiting matrix metalloproteinases O'BRIEN PATRICK MICHAEL (US) 2004-02-12 US disclosed
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 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
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-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 MMP12 3/4885MMP13 11/4885KEAP1 1908/4885
US-20040029945-A1 Method of inhibiting matrix metalloproteinases MMP17, MMP1, MMP12 MMP12 3/4885MMP13 11/4885KEAP1 1908/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 MMP12 2427/4885MMP13 4390/4885KEAP1 1419/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 MMP12 3804/4885MMP13 4166/4885KEAP1 91/4885

“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.