SCHEMBL5475490

SCHEMBL5475490

COC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.61
ALDH1A1 P00352 12/20 0.56
KDM4E B2RXH2 9/20 0.56
CASP1 P29466 5/20 0.56
MAPT P10636 5/20 0.56
ALOX15 P16050 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
USP2 O75604 4/20 0.56
TP53 P04637 2/20 0.56
HTT P42858 1/20 0.56
CASP7 P55210 1/20 0.56
HPGD P15428 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 5/20 0.51
TSHR P16473 3/20 0.51
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL5333650 0.93 GAA (0.72) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL5475499 0.93 ALDH1A1 (0.53) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL5334459 0.92 GAA (0.72) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL5340474 0.91 ALDH1A1 (0.71) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL10829937 0.81 ALDH1A1 (0.58) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL10617897 0.80 ADRA2A (0.59) GAAALDH1A1KDM4ECASP1NPSR1
SCHEMBL5478717 0.78 GAA (0.74) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL5332087 0.77 GAA (0.73) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL5331917 0.77 GAA (0.70) GAAALDH1A1KDM4ECASP1MAPT
SCHEMBL5472450 0.77 GAA (0.87) GAAALDH1A1KDM4ECASP1MAPT

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-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 GAA 3421/4885ALDH1A1 1488/4885KDM4E 4033/4885

“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.