SCHEMBL5213792

SCHEMBL5213792

COc1ccc2sc(C(=O)O)c(Oc3cccnc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.46
SELE P16581 2/20 0.46
VCAM1 P19320 1/20 0.46
EDNRA P25101 2/20 0.45
KMT2A Q03164 2/20 0.44
CLK1 P49759 1/20 0.43
MAPT P10636 2/20 0.42
SCD O00767 1/20 0.42
PRSS12 P56730 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP17A1 P05093 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 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 0.86 EDNRA (0.54) ICAM1SELEVCAM1EDNRAMAPT
SCHEMBL5214283 0.84 SERPINE1 (0.41) EDNRAKMT2APRSS12ALDH1A1KDM4E
SCHEMBL5211504 0.81 EDNRA (0.48) ICAM1SELEVCAM1EDNRAKMT2A
SCHEMBL5211808 0.80 EDNRA (0.50) ICAM1SELEVCAM1EDNRAMAPT
SCHEMBL5213212 0.80 EDNRA (0.50) ICAM1SELEVCAM1EDNRACLK1
SCHEMBL30724572 0.79 ICAM1 (0.58) ICAM1SELEVCAM1EDNRAMAPT
SCHEMBL5212761 0.79 ICAM1 (0.50) ICAM1SELEVCAM1EDNRACLK1
SCHEMBL5215758 0.79 EDNRA (0.46) ICAM1SELEVCAM1EDNRAKMT2A
SCHEMBL5219231 0.78 EDNRA (0.52) ICAM1SELEVCAM1EDNRAKMT2A
SCHEMBL5215742 0.78 ICAM1 (0.50) ICAM1SELEVCAM1EDNRAMAPT

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 ICAM1 1919/4885SELE 1789/4885VCAM1 557/4885

“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.