SCHEMBL339546

SCHEMBL339546

CC(O)CCCCCCCCCCSC(=O)n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ APAF1 O14727 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ GGPS1 O95749 1/20 0.37
▸ FDPS P14324 1/20 0.37
▸ DNMT3A Q9Y6K1 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36

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
SCHEMBL1028856 0.81 ASAH1 (0.48) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL10504076 0.74 ASAH1 (0.50) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL10504808 0.71 ASAH1 (0.47) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL17309678 0.68 ASAH1 (0.47) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL4619935 0.68 ASAH1 (0.64) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL6174975 0.68 TDP1 (0.68) SMN1; SMN2APAF1MAPTHSD17B10LMNA
SCHEMBL10503830 0.68 KMT2A (0.65) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1652334 0.67 DAGLA (0.44) SMN1; SMN2NPC1MAPTRAB9AKMT2A
SCHEMBL3078847 0.67 SMN1; SMN2 (0.59) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL29145140 0.67 SMN1; SMN2 (0.64) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 ASAH1 3790/4885SMN1; SMN2 3855/4885APAF1 4723/4885
US-20050037931-A1 Reaction products of mercaptobenzothiazoles, mercaptothiazolines, and mercaptobenzimidazoles with epoxides as lubricant additives CBR1, CBR3, OR10J3 ASAH1 3869/4885SMN1; SMN2 4366/4885APAF1 4635/4885

“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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