SCHEMBL4764353

SCHEMBL4764353

COc1ccc2sc(C(=O)O)c(Oc3ccc(C4CCCCC4)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.44
SELE P16581 2/20 0.44
VCAM1 P19320 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DYRK1A Q13627 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
EDNRA P25101 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PRSS12 P56730 1/20 0.39
CES2 O00748 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD11B1 P28845 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL6025915 0.86 ICAM1 (0.47) ICAM1SELEVCAM1ALDH1A1MAPT
SCHEMBL5216211 0.86 SMN1; SMN2 (0.39) ALDH1A1MAPTSMN1; SMN2DYRK1ATRPV1
SCHEMBL5214032 0.86 SMN1; SMN2 (0.39) ALDH1A1MAPTSMN1; SMN2DYRK1ATRPV1
SCHEMBL6026212 0.86 DYRK1A (0.43) ALDH1A1MAPTSMN1; SMN2DYRK1APTGDR2
SCHEMBL6025177 0.86 DYRK1A (0.39) ALDH1A1MAPTSMN1; SMN2DYRK1ATRPV1
SCHEMBL6026246 0.86 DYRK1A (0.39) ALDH1A1MAPTSMN1; SMN2DYRK1ATRPV1
SCHEMBL5210876 0.85 DYRK1A (0.38) ALDH1A1MAPTSMN1; SMN2DYRK1ATRPV1
SCHEMBL4768732 0.84 ACMSD (0.40) ALDH1A1MAPTSMN1; SMN2DYRK1AL3MBTL1
SCHEMBL5032100 0.82 ICAM1 (0.48) ICAM1SELEVCAM1ALDH1A1MAPT
SCHEMBL5219829 0.82 EDNRA (0.54) ICAM1SELEVCAM1ALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US disclosed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP disclosed
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
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO 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 (2 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-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA ICAM1 198/4885SELE 661/4885VCAM1 67/4885
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.