SCHEMBL5215262

SCHEMBL5215262

COc1cc2sc(C(=O)O)c(OCc3cccc(OCC4CCCCC4)c3)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.45
▸ PARP15 Q460N3 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ EDNRA P25101 1/20 0.43
▸ FFAR1 O14842 4/20 0.42
▸ PPARD Q03181 4/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ NMT1 P30419 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ SENP5 Q96HI0 1/20 0.39
▸ SENP2 Q9HC62 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ DHODH Q02127 1/20 0.38

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
SCHEMBL5212597 0.87 NMT1 (0.47) EDNRAMRGPRX4NMT1SENP5SENP2
SCHEMBL6021255 0.86 STING1 (0.46) PARP15PARP10DYRK1A
SCHEMBL6021540 0.86 STING1 (0.46) PARP15PARP10DYRK1A
SCHEMBL6020839 0.84 STING1 (0.47) PARP15PARP10DYRK1A
SCHEMBL4762896 0.84 ELANE (0.41) PARP15PARP10EDNRADYRK1ACNR2
SCHEMBL5212069 0.83 EDNRA (0.48) EDNRAFFAR1MRGPRX4SENP5SENP2
SCHEMBL6021329 0.82 STING1 (0.47) PARP15PARP10DYRK1A
SCHEMBL6021022 0.80 STING1 (0.49) PARP15PARP10DYRK1A
SCHEMBL9371330 0.80 EDNRA (0.56) EDNRAMRGPRX4SENP5SENP2SENP1
SCHEMBL5211610 0.79 HRH3 (0.41) EDNRAPPARDDYRK1ASENP5SENP2

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 SLC2A1 2472/4885PARP15 2170/4885PARP10 3074/4885

“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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