SCHEMBL5219231

SCHEMBL5219231

CCc1cccc(Oc2c(C(=O)O)sc3ccc(OC)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.52
ICAM1 P05362 2/20 0.45
SELE P16581 2/20 0.45
VCAM1 P19320 1/20 0.45
NMT1 P30419 1/20 0.43
CTBP2 P56545 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
APEX1 P27695 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DYRK1A Q13627 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
SCHEMBL5219829 0.85 EDNRA (0.54) EDNRAICAM1SELEVCAM1KDM4E
SCHEMBL5211415 0.85 EDNRA (0.39) EDNRANMT1CTBP2KDM4EPOLB
SCHEMBL5211504 0.85 EDNRA (0.48) EDNRAICAM1SELEVCAM1KDM4E
SCHEMBL6026277 0.84 STING1 (0.41) EDNRANMT1CTBP2KDM4EPOLB
SCHEMBL5211808 0.84 EDNRA (0.50) EDNRAICAM1SELEVCAM1KDM4E
SCHEMBL5215758 0.83 EDNRA (0.46) EDNRAICAM1SELEVCAM1KDM4E
SCHEMBL5215742 0.82 ICAM1 (0.50) EDNRAICAM1SELEVCAM1KDM4E
SCHEMBL5212041 0.82 L3MBTL1 (0.46) EDNRAICAM1SELEVCAM1KDM4E
SCHEMBL5213212 0.81 EDNRA (0.50) EDNRAICAM1SELEVCAM1KDM4E
SCHEMBL5218714 0.81 EDNRA (0.50) EDNRAICAM1SELEVCAM1KDM4E

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 EDNRA 1664/4885ICAM1 1919/4885SELE 1789/4885

“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.