SCHEMBL5213824

SCHEMBL5213824

COc1cc2sc(C(=O)O)c(OCc3ccc(F)c(F)c3)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 5/20 0.44
▸ ANO1 Q5XXA6 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ GCGR P47871 1/20 0.42
▸ EDNRA P25101 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SENP5 Q96HI0 2/20 0.40
▸ SENP2 Q9HC62 2/20 0.40
▸ SENP1 Q9P0U3 2/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ SERPINE1 P05121 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KDM5A P29375 1/20 0.39

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 0.85 EDNRA (0.56) STING1EDNRAALDH1A1HPGDSMN1; SMN2
SCHEMBL5211937 0.84 STING1 (0.48) STING1EDNRA
SCHEMBL5215807 0.83 EDNRA (0.47) STING1EDNRAALDH1A1SENP5SENP2
SCHEMBL6026382 0.83 EDNRA (0.52) STING1EDNRALMNAHTTALDH1A1
SCHEMBL5215575 0.83 EDNRA (0.49) STING1EDNRAALDH1A1SMN1; SMN2SENP5
SCHEMBL5215223 0.83 RXRB (0.46) STING1EDNRALMNAHTTALDH1A1
SCHEMBL5217459 0.82 STING1 (0.46) STING1EDNRAALDH1A1SENP5SENP2
SCHEMBL5218798 0.82 RAB9A (0.56) STING1EDNRAALDH1A1SENP5SENP2
SCHEMBL5215204 0.82 KDM4E (0.48) STING1EDNRAALDH1A1SENP5SENP2
SCHEMBL5211216 0.81 PARP15 (0.47) MAOBEDNRAALDH1A1SMN1; SMN2SENP5

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 3356/4885ANO1 3808/4885MAOA 3681/4885

“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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