SCHEMBL4829987

SCHEMBL4829987

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.43
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CES1 P23141 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PTPRC P08575 1/20 0.35
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 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
SCHEMBL14269128 1.00 STAT3 (0.43) STAT3CA2CA1MCL1ALDH1A1
SCHEMBL14269123 0.96 STAT3 (0.42) STAT3CA2CA1MCL1ALDH1A1
SCHEMBL4839122 0.96 STAT3 (0.42) STAT3CA2CA1MCL1ALDH1A1
SCHEMBL14269127 0.88 STAT3 (0.39) STAT3ALDH1A1CES1PTPRCTP53
SCHEMBL14269122 0.84 STAT3 (0.39) STAT3CES1TP53
SCHEMBL4915977 0.78 CES1 (0.47) ALDH1A1CES1PTPRCGAA
SCHEMBL14269133 0.76 OPRD1 (0.49) ALDH1A1CES1PTPRCGAA
SCHEMBL14269126 0.75 STAT3 (0.36) STAT3ALDH1A1PTPRC
SCHEMBL14269120 0.75 STAT3 (0.45) STAT3ALDH1A1
SCHEMBL5746932 0.74 CES1 (0.46) ALDH1A1CES1PTPRCGAA

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 2 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-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 STAT3 2030/4885CA2 3750/4885CA1 4035/4885

“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.