SCHEMBL6027241

SCHEMBL6027241

COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccc(CC(=O)O)cc3)c2c1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.33
GAA P10253 1/20 0.32
CHRM4 P08173 3/20 0.32
NR1H4 Q96RI1 3/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
CA5A P35218 1/20 0.30

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
SCHEMBL6467695 0.94 CHRM4 (0.32) GLSCHRM4MAOBNOX1KMT2A
SCHEMBL6029059 0.92 FFAR1 (0.34) GLSCHRM4
SCHEMBL6026677 0.89 CSNK2A2 (0.32)
SCHEMBL6026821 0.88 MAPT (0.32) GAAKDM4EKMT2AMEN1
SCHEMBL5791121 0.84 STING1 (0.36) GLSGAANR1H4KDM4EPOLB
SCHEMBL6027097 0.84 MRGPRX4 (0.36) GAAKDM4EPOLBMAOBKMT2A
SCHEMBL4762897 0.82 PIK3CD (0.39) GLSGAANR1H4KDM4EPOLB
SCHEMBL6029049 0.82 MEN1 (0.33) POLBKMT2AMEN1
SCHEMBL5794401 0.82 PIK3CD (0.36) GLSGAANR1H4KDM4EPOLB
SCHEMBL5794381 0.78 GLS (0.33) GLSGAAKDM4EL3MBTL1NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664037-A1 HALO SUBSTITUTED BENZO [B] THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-06-07 EP disclosed
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 US disclosed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 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-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents HCLS1, BRI3BP, BRPF1 GLS 828/4885GAA 2724/4885CHRM4 3574/4885

“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.