SCHEMBL4915977

SCHEMBL4915977

O=C(O)c1cc2c(s1)C(=O)c1ccsc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
GPR35 Q9HC97 2/20 0.46
PTPRC P08575 1/20 0.41
NOTUM Q6P988 8/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.39
DNMT1 P26358 1/20 0.39
MAPK14 Q16539 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DAO P14920 2/20 0.36
BCL2L1 Q07817 1/20 0.35

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
SCHEMBL5746932 0.95 CES1 (0.46) CES1GPR35PTPRCNOTUMKDM4E
Ammonia Solution, Strong SCHEMBL6102503 0.94 CES1 (0.44) CES1GPR35PTPRCNOTUMKDM4E
SCHEMBL6992698 0.85 CES1 (0.46) CES1PTPRCKDM4EALDH1A1HPGD
SCHEMBL14269133 0.84 OPRD1 (0.49) CES1PTPRCKDM4EALDH1A1HPGD
SCHEMBL14294472 0.81 CES1 (0.42) CES1PTPRCKDM4EALDH1A1HPGD
SCHEMBL6998703 0.81 CES1 (0.44) CES1PTPRCKDM4EALDH1A1HPGD
SCHEMBL14269132 0.80 OPRD1 (0.48) CES1PTPRCKDM4EALDH1A1HPGD
SCHEMBL4839262 0.80 CES1 (0.43) CES1PTPRCPABPC1DNMT1
SCHEMBL14269128 0.78 STAT3 (0.43) CES1PTPRCALDH1A1GAA
SCHEMBL4829987 0.78 STAT3 (0.43) CES1PTPRCALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332615-B2 Hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-02-19 US disclosed
US-7332615-B2 Hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-02-19 US disclosed
US-7332615-B2 Hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-02-19 US disclosed
US-20060069041-A1 Novel hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2006-03-30 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-20060069041-A1 Novel hydrophilic analogs of 4,8-dihydrobenzodithiophene-4,8-diones as anticancer agents ABCG2, ABCC8, ABCB1 CES1 3292/4885GPR35 3244/4885PTPRC 2181/4885

“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.