SCHEMBL5238049

SCHEMBL5238049

CC(C)Cn1c(CNC(=O)O)c(-c2cccs2)c2cc(OS(=O)(=O)C(F)(F)F)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.41
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6110160 0.85 DPP4 (0.40) DPP4ALDH1A1GAAHPGDCASP1
SCHEMBL5237143 0.85 DPP4 (0.56) DPP4
SCHEMBL5232548 0.84 DPP4 (0.60) DPP4
SCHEMBL5238776 0.84 DPP4 (0.47) DPP4
SCHEMBL5240499 0.84 DPP4 (0.46) DPP4
SCHEMBL5236493 0.84 DPP4 (0.49) DPP4
SCHEMBL5233732 0.84 DPP4 (0.55) DPP4
SCHEMBL6700296 0.84 DPP4 (0.47) DPP4
SCHEMBL5240734 0.83 DPP4 (0.53) DPP4ALDH1A1GAAHPGDCASP1
SCHEMBL5238635 0.83 DPP4 (0.48) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885ALDH1A1 387/4885GAA 310/4885

“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.