SCHEMBL4431378

SCHEMBL4431378

O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.70
MMP2 P08253 11/20 0.61
MMP9 P14780 10/20 0.61
ADAMTS4 O75173 1/20 0.61
ADAMTS5 Q9UNA0 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
MMP1 P03956 1/20 0.56
MMP7 P09237 1/20 0.56
MMP13 P45452 1/20 0.56
HPN P05981 1/20 0.53
HGFAC Q04756 1/20 0.53
ST14 Q9Y5Y6 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL6418278 1.00 MMP3 (0.70) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL4431389 1.00 MMP3 (0.70) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6414092 0.94 MMP3 (0.66) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6414097 0.94 MMP3 (0.66) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6416258 0.91 MMP3 (0.60) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6416265 0.91 MMP3 (0.60) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6421316 0.91 MMP3 (0.64) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6421326 0.91 MMP3 (0.64) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6419780 0.89 MMP3 (0.67) MMP3MMP2MMP9ADAMTS4ADAMTS5
SCHEMBL6419785 0.89 MMP3 (0.67) MMP3MMP2MMP9ADAMTS4ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874836-B1 SULFONAMIDE INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2002-10-09 EP claimed
US-5977141-A Sulfonamide inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 1999-11-02 US claimed
EP-0874836-A1 SULFONAMIDE INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-11-04 EP claimed
WO-1997019068-A1 SULFONAMIDE INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1997-05-29 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-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
US-5977141-A Sulfonamide inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 1999-11-02 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
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
EP-0874836-A1 SULFONAMIDE INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-11-04 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-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
WO-1997019068-A1 SULFONAMIDE INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1997-05-29 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 (3 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 MMP3 2192/4885MMP2 1658/4885MMP9 2591/4885
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 MMP3 2397/4885MMP2 2127/4885MMP9 757/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 MMP3 3003/4885MMP2 2619/4885MMP9 2764/4885

“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.