SCHEMBL5452965

SCHEMBL5452965

COC(=O)c1ccc(C2C(C#N)=C(CC(C)C)NC(C)=C2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 4/20 0.51
KDM4E B2RXH2 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
TSHR P16473 4/20 0.51
GAA P10253 3/20 0.51
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
KLK7 P49862 1/20 0.45
CASP7 P55210 1/20 0.45
NR3C2 P08235 2/20 0.43
LMNA P02545 2/20 0.43
CACNA1F O60840 4/20 0.41
CACNA1D Q01668 4/20 0.41
CACNA1S Q13698 4/20 0.41

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
SCHEMBL5451765 0.90 NR3C2 (0.46) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5454786 0.88 NR3C2 (0.44) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5457503 0.88 NR3C2 (0.48) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5454285 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5452336 0.86 NR3C2 (0.45) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL4106662 0.85 CACNA1F (0.48) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5447133 0.83 CACNA1F (0.60) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5449799 0.83 NR3C2 (0.40) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5445083 0.83 CACNA1F (0.58) ALDH1A1HSD17B10KDM4ENPSR1TSHR
SCHEMBL5455770 0.82 MAPT (0.40) ALDH1A1HSD17B10KDM4ETSHRGAA

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 743/4885HSD17B10 247/4885KDM4E 569/4885

“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.