SCHEMBL848452

SCHEMBL848452

O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.66
CA2 P00918 10/20 0.66
CA9 Q16790 9/20 0.66
CA12 O43570 8/20 0.66
CA14 Q9ULX7 8/20 0.66
CA4 P22748 4/20 0.55
CA5A P35218 4/20 0.55
CA5B Q9Y2D0 4/20 0.55
CA3 P07451 3/20 0.55
CA6 P23280 3/20 0.55
CA7 P43166 3/20 0.55
CA13 Q8N1Q1 3/20 0.55
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MMP2 P08253 3/20 0.50
MMP1 P03956 2/20 0.50
MMP9 P14780 2/20 0.50
MMP13 P45452 2/20 0.50
MMP8 P22894 1/20 0.50
APP P05067 1/20 0.48

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
SCHEMBL17673 0.94 CA2 (0.61) CA1CA2CA9CA12CA14
Hydrochloric Acid SCHEMBL7567770 0.91 CA2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL28872378 0.86 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL5559803 0.86 ALDH1A1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL11854911 0.83 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL10451887 0.83 CA1 (0.70) CA1CA2CA9CA12CA14
SCHEMBL4689723 0.82 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL11247993 0.82 HSPB1 (0.59) CA1CA2CA9CA12CA14
SCHEMBL12570988 0.82 GAA (0.54) CA1CA2CA9CA5ACA13
SCHEMBL6423919 0.82 CA1 (0.67) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180325878-A1 N-BIARYLAMIDES BAYER IP GMBH (DE) 2018-11-15 US disclosed
US-9867812-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-16 US disclosed
US-20160310474-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2016-10-27 US disclosed
US-9227964-B2 N-biarylamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
US-20140288118-A1 N-BIARYLAMIDES BAYER INTELLECTUAL PROPERTY GMBH 2014-09-25 US disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
CN-103596925-A Benzocycloheptene acetic acids HOFFMANN LA ROCHE 2014-02-19 CN disclosed
EP-1483244-B1 CYCLIC N-SUBSTITUTED ALPHA IMINOCARBOXYLIC ACIDS FOR SELECTIVELY INHIBITING COLLAGENASE SANOFI AVENTIS DEUTSCHLAND (DE) 2013-04-10 EP disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
EP-1651645-A1 N-BIARYLAMIDES Bayer HealthCare AG (DE) 2006-05-03 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
WO-2005012299-A1 N-BIARYLAMIDES BAYER HEALTHCARE AG (DE) 2005-02-10 WO disclosed
EP-1483244-A1 CYCLIC N-SUBSTITUTED ALPHA IMINOCARBOXYLIC ACIDS FOR SELECTIVELY INHIBITING COLLAGENASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 EP disclosed
US-6716853-B2 DEGENERATIVE JOINT DISORDERS; 2-(4'-ALKYLOXYCARBONYLAMINOBI PHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXY OR THE 4,5,6,7-TETRAHYDRO-1H-IMIDAZO(4,5-C)PYRIDINE RING; SULFONYLATION OF RING N WITH 4-NITROBIPHENYLSULFONIC ACID AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-04-06 US disclosed
US-20030199543-A1 Cyclic N-substituted alpha-imino carboxylic acids for selective inhibition of collogenase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003074489-A1 CYCLIC N-SUBSTITUTED ALPHA IMINOCARBOXYLIC ACIDS FOR SELECTIVELY INHIBITING COLLAGENASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-12 WO disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 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 (5 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-20030199543-A1 Cyclic N-substituted alpha-imino carboxylic acids for selective inhibition of collogenase MMP1, MMP13, TIMP3 CA1 125/4885CA2 136/4885CA9 67/4885
US-20180325878-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE CA1 654/4885CA2 1806/4885CA9 3855/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC CA1 508/4885CA2 306/4885CA9 269/4885
US-20140288118-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE CA1 654/4885CA2 1806/4885CA9 3855/4885
US-20160310474-A1 N-BIARYLAMIDES BCHE, BACE2, ACHE CA1 654/4885CA2 1806/4885CA9 3855/4885

“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.