SCHEMBL5246136

SCHEMBL5246136

COc1cc2c(Oc3ccc(CCSC(C)(C)C)cc3)c(C(=O)Nc3nn[nH]n3)sc2cc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
MPO P05164 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
PKM P14618 1/20 0.42
AGTR1 P30556 7/20 0.35
EDNRA P25101 4/20 0.35
APP P05067 1/20 0.35
GCGR P47871 4/20 0.34
GCG P01275 1/20 0.34
GIPR P48546 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL5744199 0.84 MPO (0.57) PIK3CDMPOCYSLTR1PKMAGTR1
SCHEMBL4770049 0.84 MPO (0.52) PIK3CDMPOCYSLTR1PKMAGTR1
SCHEMBL5215803 0.83 MPO (0.56) PIK3CDMPOCYSLTR1PKMAGTR1
SCHEMBL5217280 0.79 PIK3CD (0.54) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL4942765 0.78 PIK3CD (0.54) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5214659 0.78 PIK3CD (0.57) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5214629 0.78 PIK3CD (0.51) PIK3CDMPOCYSLTR1PKMAGTR1
SCHEMBL5797414 0.75 PIK3CD (0.47) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL6529722 0.74 PIK3CD (0.65) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5211464 0.73 PIK3CD (0.42) PIK3CDMPOCYSLTR1PKMGCGR

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 PIK3CD 3187/4885MPO 2020/4885CYSLTR1 115/4885

“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.