SCHEMBL5214813

SCHEMBL5214813

COc1cc2sc(C(=O)O)c(OCCc3cccc4c3CCCC4)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXRA P19793 8/20 0.38
▸ RXRB P28702 7/20 0.38
▸ RXRG P48443 5/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ STING1 Q86WV6 1/20 0.37
▸ MCL1 Q07820 3/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ CXCR5 P32302 1/20 0.35

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
SCHEMBL5219906 0.90 RXRA (0.41) MEN1KMT2ALMNASMN1; SMN2RXRA
SCHEMBL5214277 0.81 MCL1 (0.50) STING1MCL1
SCHEMBL5218060 0.79 SMN1; SMN2 (0.43) SMN1; SMN2STING1MCL1
SCHEMBL5211065 0.78 EDNRA (0.46) LMNASTING1MCL1
SCHEMBL5215287 0.78 LMNA (0.47) KMT2ALMNASMN1; SMN2STING1
SCHEMBL5215223 0.76 RXRB (0.46) MEN1KMT2ALMNASMN1; SMN2RXRA
SCHEMBL4771788 0.75 MCL1 (0.45) STING1MCL1
SCHEMBL5742814 0.75 MEN1 (0.42) MEN1KMT2ALMNASTING1MCL1
SCHEMBL5214930 0.74 STING1 (0.41) LMNASTING1MCL1
SCHEMBL5211173 0.73 STING1 (0.44) KMT2ALMNASTING1MCL1

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 MEN1 4169/4885KMT2A 2814/4885LMNA 4116/4885

“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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