SCHEMBL5219829

SCHEMBL5219829

COc1ccc2sc(C(=O)O)c(Oc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.54
ICAM1 P05362 2/20 0.52
SELE P16581 2/20 0.52
VCAM1 P19320 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
PLA2G10 O15496 2/20 0.44
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
PPARG P37231 2/20 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
SCHEMBL5211808 0.90 EDNRA (0.50) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5213212 0.90 EDNRA (0.50) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL8445138 0.89 ICAM1 (0.67) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL9374983 0.89 EDNRA (0.50) EDNRAKDM4EALDH1A1MAPTPLA2G10
SCHEMBL5211504 0.89 EDNRA (0.48) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5210758 0.88 ICAM1 (0.49) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL30724572 0.87 ICAM1 (0.58) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5212761 0.86 ICAM1 (0.50) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5215758 0.86 EDNRA (0.46) EDNRAICAM1SELEVCAM1L3MBTL1
SCHEMBL5213792 0.86 ICAM1 (0.46) EDNRAICAM1SELEVCAM1L3MBTL1

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 12 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
EP-0628038-B1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO [b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER LAMBERT CO (US) 1999-08-04 EP disclosed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP disclosed
US-5356926-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
EP-0299457-B1 Novel benzothiophenes having antiallergic activity and both novel and other selected benzothiophenes having activity for treating acute respiratory distress syndrome WARNER LAMBERT CO (US) 1994-09-21 EP disclosed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO disclosed
US-4931459-A ADMINISTERING SUBSTITUTED BENZOTHIOPHENES OR BENZOFURANS WARNER-LAMBERT COMPANY (US) 1990-06-05 US disclosed
US-4910317-A Containing a 5-amidetetrazole substitution in position 2 WARNER-LAMBERT COMPANY (US) 1990-03-20 US disclosed
EP-0299457-A2 Novel benzothiophenes having antiallergic activity and both novel and other selected benzothiophenes having activity for treating acute respiratory distress syndrome WARNER-LAMBERT COMPANY (US) 1989-01-18 EP 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.