SCHEMBL5212597

SCHEMBL5212597

COc1cc2sc(C(=O)O)c(OCc3cccc(OC4CCCC4)c3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.47
▸ EDNRA P25101 1/20 0.42
▸ SENP5 Q96HI0 4/20 0.40
▸ SENP2 Q9HC62 4/20 0.40
▸ SENP1 Q9P0U3 4/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ MRGPRX4 Q96LA9 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PDE4A P27815 3/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 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
SCHEMBL5215262 0.87 SLC2A1 (0.45) NMT1EDNRASENP5SENP2SENP1
SCHEMBL5212069 0.84 EDNRA (0.48) EDNRASENP5SENP2SENP1MTNR1A
SCHEMBL9371330 0.82 EDNRA (0.56) EDNRASENP5SENP2SENP1MRGPRX4
SCHEMBL6021708 0.82 KMT2A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL4768114 0.81 KMT2A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6021010 0.81 KMT2A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6020201 0.81 KMT2A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL5211216 0.80 PARP15 (0.47) EDNRASENP5SENP2SENP1MRGPRX4
SCHEMBL5217459 0.80 STING1 (0.46) EDNRASENP5SENP2SENP1MRGPRX4
SCHEMBL6020854 0.80 KMT2A (0.49) NMT1PDE4APDE4BPDE4CPDE4D

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 NMT1 2574/4885EDNRA 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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