SCHEMBL4117649

SCHEMBL4117649

CCc1nc(CC(C)(C)C)c(CNC(=O)OC(C)(C)C)c(-c2ccc(C)cc2)c1C(C)(C(=O)O)c1oc(=O)oc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.42
DPP9 Q86TI2 8/20 0.42
DPP8 Q6V1X1 6/20 0.42
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
APLNR P35414 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5452115 0.92 DPP4 (0.42) DPP4DPP9DPP8MAPTTDP1
Hydrochloric Acid SCHEMBL4104910 0.84 DPP4 (0.60) DPP4DPP9DPP8
SCHEMBL5454058 0.83 DPP4 (0.42) DPP4DPP9DPP8
SCHEMBL4117655 0.79 DPP4 (0.41) DPP4DPP9DPP8
SCHEMBL4112465 0.78 DPP4 (0.68) DPP4DPP9DPP8KMT2A
SCHEMBL5240240 0.76 DPP4 (0.48) DPP4DPP9DPP8MAPTTDP1
Hydrochloric Acid SCHEMBL5451866 0.76 DPP4 (0.62) DPP4DPP9DPP8
SCHEMBL5452120 0.74 DPP4 (0.39) DPP4DPP9DPP8
SCHEMBL5447776 0.74 DPP4 (0.46) DPP4DPP9DPP8TDP1
SCHEMBL4117782 0.73 DPP4 (0.49) DPP4DPP9DPP8MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 US 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-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS DPP4, GPR119, DPP3 DPP4 1/4885DPP9 11/4885DPP8 7/4885

“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.