SCHEMBL5217280

SCHEMBL5217280

COc1cc2c(Oc3ccc(C4CCSCC4)cc3)c(C(=O)Nc3nn[nH]n3)sc2cc1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.54
MPO P05164 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
PKM P14618 1/20 0.43
GCGR P47871 5/20 0.36
ITK Q08881 1/20 0.35
KDM1A O60341 1/20 0.33
GIPR P48546 2/20 0.32
GCG P01275 1/20 0.32
PRSS12 P56730 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL4942765 0.92 PIK3CD (0.54) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5214659 0.88 PIK3CD (0.57) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5214629 0.88 PIK3CD (0.51) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5744199 0.85 MPO (0.57) PIK3CDMPOCYSLTR1PKM
SCHEMBL5797414 0.84 PIK3CD (0.47) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5215803 0.84 MPO (0.56) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL4770049 0.81 MPO (0.52) PIK3CDMPOCYSLTR1PKM
SCHEMBL5215860 0.80 PIK3CD (0.44) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5215051 0.79 PIK3CD (0.43) PIK3CDMPOCYSLTR1PKMGCGR
SCHEMBL5246136 0.79 PIK3CD (0.51) 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.