SCHEMBL2899371

SCHEMBL2899371

CS(=O)(=O)c1ccc(C(CC2CCCC2)c2nc(F)c(C(=O)C3CCC3)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.40
EPHX2 P34913 4/20 0.36
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2901615 0.97 GCK (0.41) GCKEPHX2PTGS2PTGS1KCNH2
SCHEMBL2899373 0.89 GCK (0.46) GCKPTGS2PTGS1
SCHEMBL2902400 0.87 GCK (0.41) GCKEPHX2PTGS2PTGS1
SCHEMBL2893943 0.86 GCK (0.40) GCK
SCHEMBL2893985 0.86 GCK (0.40) GCKEPHX2PTGS2KCNH2
SCHEMBL2893933 0.85 GCK (0.41) GCKKCNH2
SCHEMBL2899362 0.85 GCK (0.43) GCK
SCHEMBL2899506 0.80 GCK (0.43) GCKKCNH2
SCHEMBL2900290 0.79 GCK (0.36) GCK
SCHEMBL2893805 0.79 GCK (0.36) GCK

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 5 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-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

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 GCK 2/4885EPHX2 3630/4885PTGS2 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.