SCHEMBL20544755

SCHEMBL20544755

[CH2]CCC(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TRPA1 O75762 1/20 0.43
GAA P10253 1/20 0.42
S1PR3 Q99500 1/20 0.42
UTS2R Q9UKP6 9/20 0.42
CACNA1B Q00975 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL391128 0.89 PPARG (0.46) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL20544831 0.89 PPARG (0.46) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL391157 0.88 P2RY2 (0.46) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL390753 0.88 P2RY2 (0.46) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL17603813 0.88 P2RY2 (0.46) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL17619244 0.86 P2RY2 (0.45) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL637736 0.86 PPARG (0.46) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL390232 0.86 P2RY2 (0.45) P2RY2PPARGPPARAALDH1A1MAPT
SCHEMBL27594478 0.86 CTSK (0.52) PPARGPPARAMAPT
SCHEMBL392217 0.86 PPARG (0.46) P2RY2PPARGPPARAALDH1A1MAPT

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-20180312516-A1 Protein Kinase B Inhibitors ASTRAZENECA AB (SE) 2018-11-01 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-20180312516-A1 Protein Kinase B Inhibitors PRKAR2B, PRKCB, AKT1 P2RY2 1136/4885PPARG 3405/4885PPARA 4173/4885

“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.