SCHEMBL4428937

SCHEMBL4428937

CC(C)C(NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 1.00
MMP9 P14780 12/20 1.00
MMP3 P08254 11/20 1.00
MMP13 P45452 11/20 1.00
MMP1 P03956 10/20 1.00
MMP7 P09237 10/20 1.00
ADAMTS4 O75173 4/20 0.72
MMP14 P50281 1/20 0.69
SLC1A3 P43003 1/20 0.67
SLC1A2 P43004 1/20 0.67
SLC1A1 P43005 1/20 0.67
MMP8 P22894 1/20 0.66

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
SCHEMBL4428929 1.00 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL3599190 1.00 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6422526 0.96 MMP2 (0.92) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6422533 0.96 MMP2 (0.92) MMP2MMP9MMP3MMP13MMP1
SCHEMBL26616333 0.96 MMP2 (0.92) MMP2MMP9MMP3MMP13MMP1
SCHEMBL3103313 0.87 MMP2 (0.77) MMP2MMP9MMP3MMP13MMP1
SCHEMBL3617858 0.87 MMP2 (0.77) MMP2MMP9MMP3MMP13MMP1
SCHEMBL32691806 0.84 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL1750956 0.84 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL4653257 0.84 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901466-B1 BIPHENYLSULFONAMIDE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2001-10-31 EP claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-0901466-A1 BIPHENYLSULFONAMIDE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-03-17 EP claimed
US-5756545-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS WARNER-LAMBERT COMPANY (US) 1998-05-26 US claimed
WO-1997044315-A1 BIPHENYLSULFONAMIDE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-11-27 WO claimed
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
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP 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
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO 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
US-5756545-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS WARNER-LAMBERT COMPANY (US) 1998-05-26 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 (2 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 MMP2 1658/4885MMP9 2591/4885MMP3 2192/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 MMP2 2619/4885MMP9 2764/4885MMP3 3003/4885

“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.