SCHEMBL366062

SCHEMBL366062

CCCCOCC(O)CSc1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.57
CYP1A2 P05177 4/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 1/20 0.47
ALOX5 P09917 2/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
PTGS2 P35354 1/20 0.44
GFER P55789 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL25123693 0.88 APEX1 (0.62) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL366415 0.82 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL367521 0.82 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL13920083 0.82 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL367761 0.82 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL367336 0.82 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL366556 0.82 APEX1 (0.60) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL367928 0.81 APEX1 (0.49) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL10037470 0.79 APEX1 (0.57) APEX1CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL10565707 0.77 APEX1 (0.71) APEX1CYP1A2CYP2D6CYP2C19CYP3A4

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-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
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

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-20090076279-A1 REACTION PRODUCTS OF MERCAPTOBENZOTHIAZOLES, MERCAPTOTHIAZOLINES, AND MERCAPTOBENZIMIDAZOLES WITH EPOXIDES AS LUBRICANT ADDITIVES EPX, CYP2E1, AOX1 APEX1 832/4885CYP1A2 74/4885CYP2D6 113/4885

“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.