SCHEMBL5334459

SCHEMBL5334459

COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC(C)C)C2c1ccc2c(c1)OCO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.72
ALDH1A1 P00352 11/20 0.59
KDM4E B2RXH2 9/20 0.59
HPGD P15428 6/20 0.59
CASP1 P29466 5/20 0.59
USP2 O75604 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 5/20 0.53
ALOX15 P16050 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 2/20 0.52
HTT P42858 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 5/20 0.47
TSHR P16473 3/20 0.47
ALOX12 P18054 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL5475490 0.92 GAA (0.61) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5333650 0.89 GAA (0.72) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5340474 0.87 ALDH1A1 (0.71) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5475499 0.85 ALDH1A1 (0.53) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5338987 0.84 GAA (0.73) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5335394 0.84 GAA (1.00) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5331132 0.83 GAA (0.72) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5333414 0.83 GAA (0.72) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5497825 0.82 GAA (0.71) GAAALDH1A1KDM4EHPGDCASP1
SCHEMBL5332462 0.82 ALDH1A1 (0.84) GAAALDH1A1KDM4EHPGDCASP1

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
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO 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.