SCHEMBL5215223

SCHEMBL5215223

COc1cc2sc(C(=O)O)c(OCc3ccc4c(c3)CCCC4)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRB P28702 4/20 0.46
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ RXRA P19793 4/20 0.41
▸ RXRG P48443 3/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ STING1 Q86WV6 1/20 0.41
▸ EDNRA P25101 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL9371330 0.83 EDNRA (0.56) NPC1RAB9ARXRASMN1; SMN2ALDH1A1
SCHEMBL5213824 0.83 STING1 (0.44) SMN1; SMN2ALDH1A1LMNASTING1EDNRA
SCHEMBL5215807 0.82 EDNRA (0.47) ALDH1A1MEN1KMT2ASTING1EDNRA
SCHEMBL5219906 0.82 RXRA (0.41) RXRBRXRARXRGSMN1; SMN2LMNA
SCHEMBL5215575 0.81 EDNRA (0.49) RXRASMN1; SMN2ALDH1A1STING1EDNRA
SCHEMBL5217459 0.81 STING1 (0.46) ALDH1A1MEN1KMT2ASTING1EDNRA
SCHEMBL5218798 0.81 RAB9A (0.56) RXRBRAB9ARXRARXRGALDH1A1
SCHEMBL5211610 0.81 HRH3 (0.41) ALDH1A1STING1EDNRASENP5SENP2
SCHEMBL5215204 0.80 KDM4E (0.48) ALDH1A1MEN1KMT2ASTING1EDNRA
SCHEMBL5211216 0.80 PARP15 (0.47) SMN1; SMN2ALDH1A1EDNRAMRGPRX4SENP5

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 RXRB 877/4885NPC1 1090/4885RAB9A 2919/4885

“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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