SCHEMBL5215807

SCHEMBL5215807

COc1cc2sc(C(=O)O)c(OCc3ccc4ccccc4c3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SENP5 Q96HI0 3/20 0.42
▸ SENP2 Q9HC62 3/20 0.42
▸ SENP1 Q9P0U3 3/20 0.42
▸ PDE10A Q9Y233 2/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ STING1 Q86WV6 1/20 0.41

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
SCHEMBL5742814 0.89 MEN1 (0.42) EDNRAMEN1KMT2APDE10ASTING1
SCHEMBL9371330 0.89 EDNRA (0.56) EDNRAMRGPRX4KDM4EALDH1A1SENP5
SCHEMBL5215575 0.87 EDNRA (0.49) EDNRAKDM4EALDH1A1SENP5SENP2
SCHEMBL5212069 0.85 EDNRA (0.48) EDNRAMRGPRX4KDM4EALDH1A1SENP5
SCHEMBL5217459 0.84 STING1 (0.46) EDNRAMEN1KMT2AMRGPRX4KDM4E
SCHEMBL4634005 0.84 SENP5 (0.56) EDNRAMRGPRX4KDM4EALDH1A1SENP5
SCHEMBL5213824 0.83 STING1 (0.44) EDNRAMRGPRX4KDM4EALDH1A1SENP5
SCHEMBL5211216 0.83 PARP15 (0.47) EDNRAMRGPRX4KDM4EALDH1A1SENP5
SCHEMBL5217366 0.83 PARP15 (0.49) MEN1KMT2AKDM4EALDH1A1SENP5
SCHEMBL5215223 0.82 RXRB (0.46) EDNRAMEN1KMT2AMRGPRX4KDM4E

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 EDNRA 1664/4885MEN1 4169/4885KMT2A 2814/4885

“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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