SCHEMBL1774413

SCHEMBL1774413

CS(=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.65
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ F2 P00734 3/20 0.50
▸ PRSS1 P07477 3/20 0.50
▸ PRSS2 P07478 3/20 0.50
▸ PRSS3 P35030 3/20 0.50
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA12 O43570 5/20 0.46
▸ CA9 Q16790 5/20 0.46
▸ CA14 Q9ULX7 5/20 0.46
▸ CA3 P07451 3/20 0.46
▸ CA4 P22748 3/20 0.46
▸ CA6 P23280 3/20 0.46
▸ CA5A P35218 3/20 0.46
▸ CA7 P43166 3/20 0.46
▸ CA13 Q8N1Q1 3/20 0.46
▸ CA5B Q9Y2D0 3/20 0.46
▸ PIR O00625 1/20 0.45

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
SCHEMBL1774411 1.00 CYP2C19 (0.65) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL2935232 1.00 CYP2C19 (0.65) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL1775480 0.94 CYP2C19 (0.77) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL1775481 0.94 CYP2C19 (0.77) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL2937262 0.94 CYP2C19 (0.77) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL14355817 0.93 CYP2C19 (0.56) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL2938712 0.90 CYP2C19 (0.54) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL1774769 0.90 CYP2C19 (0.54) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL1774767 0.90 CYP2C19 (0.54) CYP2C19KMT2AMEN1F2PRSS1
SCHEMBL2937326 0.85 CYP2C19 (0.45) CYP2C19KMT2AMEN1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943629-B2 Anticancer/antitumor agents; S-(4-([4-([(1R,2R)-2-Hydroxy-1-methylpropyl]amino)-5-(trifluoromethyl)-pyrimidin-2-yl]amino)phenyl)-S-methyl-N-[(trifluoromethyl)sulphonyl]-sulphimide for example BAYER SCHERING PHARMA AG (DE) 2011-05-17 — — US disclosed
US-7943629-B2 Anticancer/antitumor agents; S-(4-([4-([(1R,2R)-2-Hydroxy-1-methylpropyl]amino)-5-(trifluoromethyl)-pyrimidin-2-yl]amino)phenyl)-S-methyl-N-[(trifluoromethyl)sulphonyl]-sulphimide for example BAYER SCHERING PHARMA AG (DE) 2011-05-17 — — US disclosed
EP-2029552-B1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2010-09-22 — — EP disclosed
EP-2029552-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-03-04 — — EP disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 — — US disclosed
US-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 — — US disclosed
WO-2007140957-A1 SULFIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-13 — — 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 (1 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-20080058358-A1 SULPHIMIDES AS PROTEIN KINASE INHIBITORS PRKCE, BRAF, PACSIN2 CYP2C19 3401/4885KMT2A 2144/4885MEN1 2173/4885

“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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