SCHEMBL5217366

SCHEMBL5217366

COc1cc2sc(C(=O)O)c(OCc3cccc4ccccc34)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.49
▸ MCL1 Q07820 7/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BCL2 P10415 2/20 0.43
▸ BCL2L1 Q07817 2/20 0.43
▸ BAD Q92934 2/20 0.43
▸ SENP5 Q96HI0 2/20 0.42
▸ SENP2 Q9HC62 2/20 0.42
▸ SENP1 Q9P0U3 2/20 0.42
▸ FDPS P14324 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL5214277 0.89 MCL1 (0.50) PARP15PARP10MCL1GAAL3MBTL1
SCHEMBL9371330 0.84 EDNRA (0.56) SENP5SENP2SENP1KDM4EALDH1A1
SCHEMBL5215807 0.83 EDNRA (0.47) MEN1KMT2ASENP5SENP2SENP1
SCHEMBL5219906 0.81 RXRA (0.41) MEN1KMT2ASENP5SENP2SENP1
SCHEMBL5214290 0.80 ALDH1A1 (0.47) MEN1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL5215575 0.80 EDNRA (0.49) SENP5SENP2SENP1CYP3A4KDM4E
SCHEMBL5215081 0.79 PLK1 (0.47) SENP5SENP2SENP1PKMKDM4E
SCHEMBL5212069 0.79 EDNRA (0.48) SENP5SENP2SENP1PKMKDM4E
SCHEMBL5211216 0.78 PARP15 (0.47) PARP15SENP5SENP2SENP1KDM4E
SCHEMBL4762896 0.78 ELANE (0.41) PARP15PARP10SENP5SENP2SENP1

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 PARP15 2170/4885PARP10 3074/4885MCL1 1046/4885

“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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