SCHEMBL4770066

SCHEMBL4770066

COc1cc2c(Oc3ccc(OC(F)(F)F)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
PPARD Q03181 5/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CSNK1D P48730 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSA P10619 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4762793 0.88 ESR1 (0.43) ESR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL5214530 0.86 EDNRA (0.42) ESR1L3MBTL1
SCHEMBL5215532 0.86 EDNRA (0.44) ESR1L3MBTL1ALDH1A1
SCHEMBL4771921 0.86 FGFR2 (0.41) ESR1ICAM1SELEPPARDL3MBTL1
SCHEMBL4770247 0.85 ESR1 (0.38) ESR1ICAM1SELEVCAM1CSNK1D
SCHEMBL5215280 0.85 ESR1 (0.43) ESR1CCNCCDK8L3MBTL1PPARG
SCHEMBL5766360 0.84 MAP3K8 (0.42) ESR1ICAM1SELEVCAM1PPARD
SCHEMBL4771697 0.83 ICAM1 (0.40) ESR1ICAM1SELEVCAM1L3MBTL1
SCHEMBL5217744 0.83 MAOB (0.43) ESR1L3MBTL1ALDH1A1
SCHEMBL5214010 0.83 PTGS2 (0.43) ESR1ALDH1A1

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
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
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 claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
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 claimed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US claimed
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 claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US 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
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 ESR1 2215/4885ICAM1 198/4885SELE 661/4885
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 ESR1 911/4885ICAM1 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.