SCHEMBL5214277

SCHEMBL5214277

COc1cc2sc(C(=O)O)c(OCCc3cccc4ccccc34)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 8/20 0.50
▸ BCL2 P10415 2/20 0.46
▸ BCL2L1 Q07817 2/20 0.46
▸ BAD Q92934 2/20 0.46
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ PARP15 Q460N3 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ AKR1B1 P15121 1/20 0.40

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
SCHEMBL5217366 0.89 PARP15 (0.49) MCL1BCL2BCL2L1BADGAA
SCHEMBL5218060 0.87 SMN1; SMN2 (0.43) MCL1L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL5211065 0.85 EDNRA (0.46) MCL1GAAMAPTKDM4EALDH1A1
SCHEMBL5742814 0.83 MEN1 (0.42) MCL1BCL2BCL2L1BADGAA
SCHEMBL4771788 0.81 MCL1 (0.45) MCL1BCL2BCL2L1BADMTNR1B
SCHEMBL5214813 0.81 MEN1 (0.40) MCL1STING1
SCHEMBL5215287 0.79 LMNA (0.47) GAAMAPTALDH1A1STING1
SCHEMBL5210914 0.78 NOX1 (0.44) GAAL3MBTL1MAPTPKMMTNR1A
SCHEMBL9371330 0.78 EDNRA (0.56) KDM4EALDH1A1STING1
SCHEMBL5211173 0.77 STING1 (0.44) MCL1BCL2BCL2L1BADGAA

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 2 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
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 — — US 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 MCL1 1046/4885BCL2 974/4885BCL2L1 488/4885

“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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