SCHEMBL2899337

SCHEMBL2899337

CC(CC1CCOCC1)(c1ccc(S(C)(=O)=O)cn1)c1ccc(-c2ccccn2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.37
SCD O00767 1/20 0.35
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
MTOR P42345 3/20 0.33
RPTOR Q8N122 2/20 0.33
MLST8 Q9BVC4 2/20 0.33
RICTOR Q6R327 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
SSTR3 P32745 1/20 0.33
KCNH2 Q12809 1/20 0.33
F12 P00748 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GCK P35557 2/20 0.32
PIK3CA P42336 1/20 0.32
CNR2 P34972 1/20 0.32
PDE9A O76083 1/20 0.32

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
SCHEMBL2902678 0.85 SSTR3 (0.33) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL2897151 0.76 GCK (0.39) CBFBSCDPTGS2GCK
SCHEMBL2902387 0.72 GCK (0.44) CBFBSCDPTGS2GCK
SCHEMBL2892377 0.69 GCK (0.40) CBFBSCDPTGS2GCK
SCHEMBL2901747 0.67 GCK (0.38) GCK
SCHEMBL2899592 0.66 GCK (0.37) MTORGCKPIK3CACNR2
SCHEMBL2901940 0.65 GCK (0.44) GCK
SCHEMBL2896609 0.65 GCK (0.57) KCNH2GCK
SCHEMBL2892055 0.65 GCK (0.45) KCNH2GCK
SCHEMBL28004660 0.64 PTGS2 (0.51) CBFBSCDPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 CBFB 2311/4885SCD 2211/4885PTGS2 1280/4885

“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.