SCHEMBL366556

SCHEMBL366556

CCCCCCCCCCCCC(O)CSc1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.60
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPK1 P28482 2/20 0.51
HIF1A Q16665 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.50
PTGS2 P35354 1/20 0.49
POLB P06746 2/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GFER P55789 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL366415 1.00 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL367521 1.00 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL367761 1.00 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL367336 1.00 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL13920083 1.00 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL9811262 0.83 MAPT (0.52) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL9811199 0.82 MAPT (0.51) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL366062 0.82 APEX1 (0.57) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL10037465 0.81 APEX1 (0.50) APEX1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL14028805 0.81 APEX1 (0.53) APEX1MAPK1L3MBTL1MAPTPTGS2

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
JP-4679518-B2 2011-04-27 JP claimed
EP-1654342-B1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORP (US) 2011-01-19 EP claimed
US-7442673-B2 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CROMPTON CORPORATION (US) 2008-10-28 US claimed
JP-2007502870-A 2007-02-15 JP claimed
EP-1654342-A1 REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION (US) 2006-05-10 EP claimed
WO-2005019396-A1 REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION (US) 2005-03-03 WO claimed
US-20050037931-A1 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CHEMTURA CORPORATION 2005-02-17 US claimed
US-8097731-B2 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidalzoles with epoxides as lubricant additives CROMPTON CORPORATION (US) 2012-01-17 US disclosed
EP-1654342-B1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORP (US) 2011-01-19 EP disclosed
US-20090076279-A1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION 2009-03-19 US disclosed
US-7442673-B2 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CROMPTON CORPORATION (US) 2008-10-28 US disclosed
EP-1654342-A1 REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION (US) 2006-05-10 EP disclosed
WO-2005019396-A1 REACTIONS PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES CHEMTURA CORPORATION (US) 2005-03-03 WO disclosed
US-20050037931-A1 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CHEMTURA CORPORATION 2005-02-17 US 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 (2 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-20090076279-A1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES EPX, CYP2E1, AOX1 APEX1 832/4885CYP1A2 74/4885CYP2D6 113/4885
US-20050037931-A1 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CBR1, CBR3, OR10J3 APEX1 1441/4885CYP1A2 273/4885CYP2D6 219/4885

“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.