SCHEMBL208435

SCHEMBL208435

NS(=O)(=O)c1ccccc1-c1cc[c]cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 5/20 0.45
CA12 O43570 4/20 0.45
CA6 P23280 3/20 0.45
CA4 P22748 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CYP2C9 P11712 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
SCN9A Q15858 2/20 0.40
F10 P00742 4/20 0.40
STAT3 P40763 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39

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
SCHEMBL8350056 0.86 CA1 (0.54) CA1CA2CA9CA12CA6
SCHEMBL48885 0.84 CA2 (0.52) CA1CA2CA9CA12CA6
Methane SCHEMBL27503773 0.82 CA2 (0.50) CA1CA2CA9CA12CA6
Hydrochloric Acid SCHEMBL6399557 0.82 CA2 (0.50) CA1CA2CA9CA12CA6
SCHEMBL207671 0.81 PTGS2 (0.44) ALOX5APFEN1PTGS2
SCHEMBL7443147 0.81 PGAM1 (0.38) CYP2C9PTGS2
SCHEMBL1080972 0.79 CA2 (0.61) CA1CA2CA9CA12CA6
SCHEMBL30940556 0.78 CA1 (0.52) CA1CA2CA9CA12CA6
SCHEMBL890792 0.78 CA1 (0.52) CA1CA2CA9CA12CA6
SCHEMBL27954274 0.78 CA2 (0.65) CA1CA2CA9CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2008-04-17 US claimed
EP-1794130-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP claimed
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US claimed
WO-2006032852-A1 PYRAZOLE COMPOUNDS USEFUL UIN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 WO claimed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP claimed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO claimed
US-20030199698-A1 Carbamic acid esters as inhibitors of factor xa MERCK PATENT GMBH (DE) 2003-10-23 US claimed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
CN-103214414-B The diamine derivative of opticity and manufacture method thereof SANKYO CO. (JP) 2016-02-17 CN disclosed
CN-103214414-A Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-07-24 CN disclosed
CN-101263110-B Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-04-03 CN disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
CN-1268117-A Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis DU PONT PHARM CO (US) 2000-09-27 CN disclosed
WO-2000051989-A1 PYRAZOLE-3-ON-DERIVATIVE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2000-09-08 WO disclosed
WO-2000040583-A2 IMIDAZO[4,5-C]-PYRIDINE-4-ON-DERIVATIVES MERCK PATENT GMBH (DE) 2000-07-13 WO disclosed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 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-20080090836-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 CA1 4324/4885CA2 4029/4885CA9 4289/4885
US-20030199698-A1 Carbamic acid esters as inhibitors of factor xa F11, F12, F13A1 CA1 62/4885CA2 144/4885CA9 240/4885
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B CA1 4525/4885CA2 4162/4885CA9 4584/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CA1 2310/4885CA2 4684/4885CA9 4362/4885

“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.