SCHEMBL367928

SCHEMBL367928

CCCCCCCCCc1ccc(OCC(O)CSc2nc3ccccc3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.49
PTGS2 P35354 1/20 0.48
S1PR1 P21453 2/20 0.47
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 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
SCHEMBL10037470 0.83 APEX1 (0.57) APEX1ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL366062 0.81 APEX1 (0.57) APEX1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL15921741 0.81 S1PR1 (0.46) S1PR1ALDH1A1ATP4AATP4BMAPK1
SCHEMBL367521 0.80 APEX1 (0.60) APEX1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL367761 0.80 APEX1 (0.60) APEX1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL366556 0.80 APEX1 (0.60) APEX1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL13920083 0.80 APEX1 (0.60) APEX1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL367336 0.80 APEX1 (0.60) APEX1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL366415 0.80 APEX1 (0.60) APEX1PTGS2ALDH1A1HPGDCYP1A2
SCHEMBL9121512 0.79 APEX1 (0.57) APEX1ALDH1A1HPGDCYP1A2CYP2D6

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 18 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
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
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-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
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 832/4885PTGS2 315/4885S1PR1 4101/4885
US-20050037931-A1 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CBR1, CBR3, OR10J3 APEX1 1441/4885PTGS2 1210/4885S1PR1 979/4885

“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.