SCHEMBL3607260

SCHEMBL3607260

COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.58
MMP2 P08253 9/20 0.58
MMP13 P45452 6/20 0.58
MMP3 P08254 5/20 0.58
MMP1 P03956 4/20 0.58
MMP7 P09237 4/20 0.58
ADAMTS4 O75173 4/20 0.49
MMP8 P22894 1/20 0.46
NLRP3 Q96P20 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL3612014 0.90 MMP9 (0.54) MMP9MMP2MMP13MMP3MMP1
SCHEMBL28753604 0.90 MMP9 (0.54) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3620408 0.88 MMP9 (0.47) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3103313 0.86 MMP2 (0.77) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3617858 0.86 MMP2 (0.77) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3617088 0.84 MMP2 (0.56) MMP9MMP2MMP13MMP3MMP1
SCHEMBL27612016 0.76 MMP13 (0.49) MMP9MMP2MMP13MMP3MMP1
SCHEMBL1655649 0.76 MMP9 (0.69) MMP9MMP2MMP13MMP3MMP1
SCHEMBL4428929 0.74 MMP2 (1.00) MMP9MMP2MMP13MMP3MMP1
SCHEMBL3599190 0.74 MMP2 (1.00) MMP9MMP2MMP13MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324558-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-12-05 US claimed
US-20130096140-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE AERPIO THERAPEUTICS INC. (US) 2013-04-18 US claimed
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-01-21 US claimed
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2008-05-08 US claimed
EP-3323815-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE Aerpio Therapeutics, Inc. (US) 2018-05-23 EP disclosed
EP-2592072-A2 Human protein tyrosine phosphatase inhibitors and their use Warner Chilcott Company, LLC (PR) 2013-05-15 EP disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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 (6 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-20130096140-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MMP9 1800/4885MMP2 424/4885MMP13 1250/4885
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MMP9 1800/4885MMP2 424/4885MMP13 1250/4885
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC MMP9 14/4885MMP2 5/4885MMP13 13/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC MMP9 14/4885MMP2 5/4885MMP13 13/4885
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis VASP, DUSP15, PPP5C MMP9 4355/4885MMP2 2643/4885MMP13 2380/4885
US-20130324558-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C MMP9 1800/4885MMP2 424/4885MMP13 1250/4885

“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.