SCHEMBL2897166

SCHEMBL2897166

CC(=O)CC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.57
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL13477802 0.87 GCK (0.56) GCKKMT2AKCNH2
SCHEMBL1107388 0.87 GCK (0.58) GCKKMT2AMEN1KCNH2
SCHEMBL1865137 0.84 GCK (0.58) GCKKMT2AMEN1KCNH2
SCHEMBL1865136 0.84 GCK (0.58) GCKKMT2AMEN1KCNH2
SCHEMBL1930773 0.83 GCK (0.58) GCKKMT2AMEN1KCNH2
SCHEMBL2648154 0.83 GCK (0.53) GCKKMT2AMEN1KCNH2
SCHEMBL2650823 0.83 GCK (0.57) GCKKMT2AMEN1KCNH2
SCHEMBL2646180 0.83 GCK (0.57) GCKKMT2AMEN1KCNH2
SCHEMBL2667236 0.83 GCK (0.57) GCKKMT2AKCNH2
SCHEMBL2646260 0.83 GCK (0.57) GCKKMT2AMEN1KCNH2

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 GCK 2/4885KMT2A 1144/4885MEN1 1937/4885

“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.