SCHEMBL5217459

SCHEMBL5217459

COc1cc(COc2c(C(=O)O)sc3cc(OC)c(OC)cc23)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.46
▸ EDNRA P25101 1/20 0.45
▸ SENP5 Q96HI0 6/20 0.42
▸ SENP2 Q9HC62 6/20 0.42
▸ SENP1 Q9P0U3 6/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALKBH1 Q13686 1/20 0.39
▸ ABCB1 P08183 2/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36
▸ SERPINE1 P05121 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
SCHEMBL9371330 0.88 EDNRA (0.56) STING1EDNRASENP5SENP2SENP1
SCHEMBL5210917 0.86 STING1 (0.43) STING1EDNRASENP5SENP2SENP1
SCHEMBL5212069 0.84 EDNRA (0.48) EDNRASENP5SENP2SENP1KDM4E
SCHEMBL5215204 0.84 KDM4E (0.48) STING1EDNRASENP5SENP2SENP1
SCHEMBL5215807 0.84 EDNRA (0.47) STING1EDNRASENP5SENP2SENP1
SCHEMBL5215575 0.83 EDNRA (0.49) STING1EDNRASENP5SENP2SENP1
SCHEMBL5213824 0.82 STING1 (0.44) STING1EDNRASENP5SENP2SENP1
SCHEMBL5218798 0.82 RAB9A (0.56) STING1EDNRASENP5SENP2SENP1
SCHEMBL5211216 0.82 PARP15 (0.47) EDNRASENP5SENP2SENP1KDM4E
SCHEMBL9023626 0.81 STING1 (0.54) STING1EDNRAL3MBTL1

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
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 — — EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 — — EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 — — US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 — — WO 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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 STING1 3356/4885EDNRA 1664/4885SENP5 1592/4885

“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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