SCHEMBL16564005

SCHEMBL16564005

NC(=O)CC(NC(=O)O)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 0.49
MMP12 P39900 1/20 0.45
EPHX2 P34913 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL16563312 0.83 PDE2A (0.49) PDE2AEPHX2TRPM8
SCHEMBL16564168 0.83 PDE2A (0.53) PDE2AEPHX2
SCHEMBL16563462 0.83 PDE2A (0.53) PDE2AEPHX2
SCHEMBL17781275 0.82 PDE2A (0.53) PDE2A
SCHEMBL16563788 0.81 PDE2A (0.51) PDE2AEPHX2TRPM8
SCHEMBL16563806 0.81 MMP12 (0.57) PDE2AMMP12EPHX2
SCHEMBL19946337 0.78 PDE2A (0.50) PDE2AEPHX2TRPM8
SCHEMBL16563926 0.76 PDE2A (0.57) PDE2AEPHX2TRPM8
SCHEMBL16563796 0.75 PDE2A (0.60) PDE2AEPHX2TRPM8
SCHEMBL17781232 0.75 PDE2A (0.60) PDE2AEPHX2TRPM8

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-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 US disclosed
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 CN disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 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 (2 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-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A PDE2A 1/4885MMP12 1046/4885EPHX2 1190/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A PDE2A 1/4885MMP12 1046/4885EPHX2 1190/4885

“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.