SCHEMBL948406

SCHEMBL948406

CC(C)(C)OC(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.90

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.90
▸ CA1 P00915 10/20 0.90
▸ CA12 O43570 9/20 0.90
▸ CA9 Q16790 9/20 0.90
▸ CA14 Q9ULX7 7/20 0.90
▸ STAT3 P40763 2/20 0.59
▸ CA3 P07451 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA5B Q9Y2D0 1/20 0.53
▸ PTPN2 P17706 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ PTPN6 P29350 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL23812256 0.84 CA12 (0.66) CA2CA1CA12CA9CA14
SCHEMBL25007822 0.84 CA12 (0.66) CA2CA1CA12CA9CA14
Hydrazine SCHEMBL10771056 0.82 CA12 (0.62) CA2CA1CA12CA9CA14
SCHEMBL109451 0.82 CA1 (0.61) CA2CA1CA12CA9CA14
SCHEMBL3899241 0.82 CA12 (0.64) CA2CA1CA12CA9CA14
SCHEMBL947826 0.80 STAT3 (0.72) CA2CA1CA12CA9CA14
SCHEMBL1178941 0.79 CA2 (0.89) CA2CA1CA12CA9CA14
SCHEMBL9389530 0.79 CA2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL380152 0.77 CA12 (0.57) CA2CA1CA12CA9CA14
SCHEMBL21015615 0.77 CA1 (0.57) CA2CA1CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 — — US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 — — EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 — — US disclosed
CN-102127023-B 7-membered ring compound, process for producing the same, and use thereof DAIICHI SANKYO CO LTD 2013-02-06 — — CN disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 — — EP disclosed
CN-101495463-B Seven-membered ring compound, production method thereof and pharmaceutical use thereof DAIICHI SANKYO CO LTD 2012-08-15 — — CN disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 — — EP disclosed
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 — — US disclosed
CN-102127023-A 7-membered ring compound, process for producing the same, and use thereof DAIICHI ASUBIO PHARMA CO LTD 2011-07-20 — — CN disclosed
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 — — US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 — — US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 — — US disclosed
CN-101160290-A 7-membered ring compound, process for producing the same, and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2008-04-09 — — CN disclosed
EP-1863785-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING CMPLEMENT-MEDIATED DESEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-12 — — EP disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 — — EP disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 — — US disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 — — US disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 — — US disclosed
WO-2006101860-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 — — WO disclosed
WO-2006101860-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 — — 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-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions C5, C1QBP, C1R CA2 2365/4885CA1 1696/4885CA12 945/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CA2 187/4885CA1 418/4885CA12 352/4885
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CA2 187/4885CA1 418/4885CA12 352/4885

“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.

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