SCHEMBL6029059

SCHEMBL6029059

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CHRM4 P08173 2/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
S1PR1 P21453 1/20 0.32
PPARA Q07869 2/20 0.31
GLS O94925 2/20 0.31
PPARD Q03181 1/20 0.31
KDM1A O60341 1/20 0.31
GCK P35557 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
SCHEMBL6027241 0.92 GLS (0.33) CHRM4GLS
SCHEMBL6467695 0.89 CHRM4 (0.32) CHRM4GLS
SCHEMBL6026677 0.88 CSNK2A2 (0.32)
SCHEMBL6026821 0.86 MAPT (0.32)
SCHEMBL6811917 0.85 STING1 (0.39) FFAR1ABL1SRCS1PR1GLS
SCHEMBL4762949 0.83 PIK3CD (0.38) FFAR1ABL1SRCS1PR1
SCHEMBL6027097 0.83 MRGPRX4 (0.36)
SCHEMBL6029049 0.81 MEN1 (0.33)
SCHEMBL4768325 0.78 FFAR1 (0.36) FFAR1
SCHEMBL5821279 0.77 PIK3CD (0.38) FFAR1ABL1SRC

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 FFAR1 717/4885FFAR4 1331/4885CHRM4 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.