SCHEMBL1774945

SCHEMBL1774945

Cc1ccc(S(=O)(=O)/N=S(\C)c2ccc(N)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.84
▸ KMT2A Q03164 2/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ PIR O00625 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ LMNA P02545 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ F2 P00734 4/20 0.45
▸ PRSS1 P07477 4/20 0.45
▸ PRSS2 P07478 4/20 0.45
▸ PRSS3 P35030 4/20 0.45
▸ AGO2 Q9UKV8 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40

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
SCHEMBL2940445 1.00 CYP2C19 (0.84) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL1774946 1.00 CYP2C19 (0.84) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL16317067 0.92 CYP2C19 (1.00) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL17015173 0.92 CYP2C19 (1.00) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL17015171 0.83 KMT2A (1.00) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL17996453 0.83 KMT2A (1.00) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL16317068 0.81 CYP2C19 (0.79) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL17020444 0.81 CYP2C19 (0.79) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL2937262 0.80 CYP2C19 (0.77) CYP2C19KMT2AMEN1PIRALDH1A1
SCHEMBL22217122 0.80 CYP2C19 (0.77) CYP2C19KMT2AMEN1PIRALDH1A1

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 5 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
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
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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