SCHEMBL5218798

SCHEMBL5218798

COc1cc2sc(C(=O)O)c(OCc3ccc(C(C)(C)C)cc3)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NR4A2 P43354 2/20 0.45
▸ RXRA P19793 2/20 0.45
▸ RXRB P28702 2/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ EDNRA P25101 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ STING1 Q86WV6 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SENP5 Q96HI0 2/20 0.41
▸ SENP2 Q9HC62 2/20 0.41
▸ SENP1 Q9P0U3 2/20 0.41
▸ XDH P47989 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
SCHEMBL5210917 0.90 STING1 (0.43) RAB9AL3MBTL1RXRARXRBSCN9A
SCHEMBL9371330 0.87 EDNRA (0.56) RAB9ARXRAEDNRASTING1KDM4E
SCHEMBL5215575 0.85 EDNRA (0.49) RXRASCN9AEDNRASTING1KDM4E
SCHEMBL5215204 0.84 KDM4E (0.48) EDNRAMEN1KMT2ASTING1KDM4E
SCHEMBL5217459 0.82 STING1 (0.46) L3MBTL1EDNRAMEN1KMT2ASTING1
SCHEMBL5213824 0.82 STING1 (0.44) EDNRASTING1KDM4EALDH1A1SENP5
SCHEMBL5215807 0.81 EDNRA (0.47) EDNRAMEN1KMT2ASTING1KDM4E
SCHEMBL5217309 0.81 L3MBTL1 (0.51) L3MBTL1NR4A2KDM4EALDH1A1SENP5
SCHEMBL5215223 0.81 RXRB (0.46) RAB9AL3MBTL1RXRARXRBEDNRA
SCHEMBL5211610 0.80 HRH3 (0.41) EDNRASTING1KDM4EALDH1A1SENP5

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 RAB9A 2919/4885L3MBTL1 348/4885NR4A2 241/4885

“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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