SCHEMBL1774769

SCHEMBL1774769

COc1ccc(S(=O)(=O)N=S(C)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.54
▸ PIR O00625 1/20 0.47
▸ F2 P00734 4/20 0.47
▸ PRSS1 P07477 4/20 0.47
▸ PRSS2 P07478 4/20 0.47
▸ PRSS3 P35030 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 1/20 0.46
▸ APP P05067 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ KCNJ1 P48048 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL2938712 1.00 CYP2C19 (0.54) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL1774767 1.00 CYP2C19 (0.54) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL1774411 0.90 CYP2C19 (0.65) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL1774413 0.90 CYP2C19 (0.65) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL2935232 0.90 CYP2C19 (0.65) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL1775481 0.85 CYP2C19 (0.77) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL2937262 0.85 CYP2C19 (0.77) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL1775480 0.85 CYP2C19 (0.77) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL14355817 0.83 CYP2C19 (0.56) CYP2C19PIRF2PRSS1PRSS2
SCHEMBL17020444 0.83 CYP2C19 (0.79) CYP2C19PIRF2PRSS1PRSS2

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 9 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-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
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 3401/4885PIR 3954/4885F2 3355/4885

“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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