SCHEMBL4169939

SCHEMBL4169939

ClCc1cc(-c2ccsc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2E1 P05181 2/20 0.42
KCNH2 Q12809 1/20 0.40
PRMT6 Q96LA8 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SQLE Q14534 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
ERN1 O75460 1/20 0.34
PTPRC P08575 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL7393295 0.81 KCNH2 (0.44) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL9454086 0.81 CYP2A6 (0.42) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL9052922 0.81 CYP2A6 (0.42) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL987523 0.76 CYP11B1 (0.49) CYP2A6CYP2B6CYP2E1CYP11B1CYP11B2
SCHEMBL22734782 0.71 CYP2A6 (0.48) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL2125063 0.71 CYP2A6 (0.72) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL4056073 0.69 CYP17A1 (0.56) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL4244869 0.69 CYP2A6 (0.48) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL9454548 0.68 KCNH2 (0.39) CYP2A6CYP2B6CYP2E1KCNH2PRMT6
SCHEMBL7499054 0.68 PRMT6 (0.63) CYP2A6CYP2B6CYP2E1KCNH2PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
EP-1874788-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-09 EP disclosed
EP-1842855-A2 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-10 EP disclosed
WO-2006111783-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-10-26 WO disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
CN-1042910-A The allylamine derivatives that replaces, their production method and application thereof BANYU PHARMA CO LTD (JP) 1990-06-13 CN 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-20090048186-A1 Monosaccharide Derivatives as Anti-Inflammatory and/or Anti-Cancer Agents HLA-DRB1, MUC1, ASGR1 CYP2A6 2149/4885CYP2B6 2353/4885CYP2E1 1683/4885
US-20080114031-A1 MONOSACCHARIDE DERIVATIVES HLA-DRB1, MUC1, FUT5 CYP2A6 1600/4885CYP2B6 1688/4885CYP2E1 1226/4885

“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.