SCHEMBL3477077

SCHEMBL3477077

C=CCN(Sc1nc2ccccc2s1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 3/20 0.46
FBP1 P09467 2/20 0.46
HPGD P15428 2/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD2 P14416 1/20 0.46
ALOX15 P16050 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
MC5R P33032 1/20 0.46
OPRM1 P35372 1/20 0.46

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
SCHEMBL1193757 0.83 FBP1 (0.54) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL712848 0.82 ALDH1A1 (0.53) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL1193524 0.81 FBP1 (0.51) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL1194499 0.80 CYP1A2 (0.48) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL1193557 0.79 ALDH1A1 (0.49) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL11759780 0.77 L3MBTL1 (0.48) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL5075489 0.77 ALDH1A1 (0.58) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL11704481 0.77 ALDH1A1 (0.58) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL30104099 0.77 ALDH1A1 (0.58) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL1193937 0.76 FBP1 (0.56) L3MBTL1CYP1A2CYP2D6CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236502-B1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE VULCANIZATION ACCELERATOR OUCHI SHINKO CHEMICAL IND CO LTD (JP) 2014-03-05 EP claimed
US-8546582-B2 Sulfenamide, vulcanization accelerator containing the sulfenamide for rubber, and process for producing the vulcanization accelerator OUCHI SHINKO CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-10-01 US claimed
US-20100324301-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE VULCANIZATION ACCELERATOR OUCHI SHINKO CHEMICAL INDUSTRIAL CO., LTD. (JP) 2010-12-23 US claimed
EP-2236502-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE SAME Ouchi Shinko Chemical Industrial Co., Ltd. (JP) 2010-10-06 EP claimed
EP-2236502-B1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE VULCANIZATION ACCELERATOR OUCHI SHINKO CHEMICAL IND CO LTD (JP) 2014-03-05 EP disclosed
US-8546582-B2 Sulfenamide, vulcanization accelerator containing the sulfenamide for rubber, and process for producing the vulcanization accelerator OUCHI SHINKO CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-10-01 US disclosed
US-8546582-B2 Sulfenamide, vulcanization accelerator containing the sulfenamide for rubber, and process for producing the vulcanization accelerator OUCHI SHINKO CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-10-01 US disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100324301-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE VULCANIZATION ACCELERATOR OUCHI SHINKO CHEMICAL INDUSTRIAL CO., LTD. (JP) 2010-12-23 US disclosed
US-20100324301-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE VULCANIZATION ACCELERATOR OUCHI SHINKO CHEMICAL INDUSTRIAL CO., LTD. (JP) 2010-12-23 US disclosed
EP-2236502-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE SAME Ouchi Shinko Chemical Industrial Co., Ltd. (JP) 2010-10-06 EP disclosed
EP-2236502-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE SAME Ouchi Shinko Chemical Industrial Co., Ltd. (JP) 2010-10-06 EP disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2009084538-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE SAME OUCHI SHINKO CHEMICAL INDUSTRIAL CO., LTD. (JP) 2009-07-09 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-20100324301-A1 SULFENAMIDE, VULCANIZATION ACCELERATOR CONTAINING THE SULFENAMIDE FOR RUBBER, AND PROCESS FOR PRODUCING THE VULCANIZATION ACCELERATOR SULT1E1, SULT1A1, MMS19 L3MBTL1 2124/4885CYP1A2 615/4885CYP2D6 1700/4885

“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.