SCHEMBL5454739

SCHEMBL5454739

Cc1nc(CC(C)C)c(C#N)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
DPP4 P27487 12/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL5456961 0.90 DPP4 (0.48) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5449831 0.88 ALDH1A1 (0.42) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5451593 0.88 DPP4 (0.42) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5457960 0.87 DPP4 (0.52) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5441393 0.86 DPP4 (0.41) ALDH1A1L3MBTL1DPP4DPP8DPP9
SCHEMBL5457196 0.83 DPP4 (0.59) DPP4DPP8DPP9
SCHEMBL5442732 0.83 DPP4 (0.47) ALDH1A1DPP4DPP8DPP9KDM4E
SCHEMBL5447534 0.82 PTPN1 (0.43) ALDH1A1L3MBTL1DPP4DPP8KDM4E
SCHEMBL5463607 0.80 DPP4 (0.43) ALDH1A1DPP4DPP8DPP9KDM4E
SCHEMBL5462030 0.80 KMT2A (0.41) ALDH1A1L3MBTL1DPP4DPP8DPP9

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD ALDH1A1 743/4885L3MBTL1 473/4885DPP4 1/4885

“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.