SCHEMBL5329917

SCHEMBL5329917

CCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.71
KDM4E B2RXH2 9/20 0.71
GAA P10253 7/20 0.71
CASP1 P29466 6/20 0.71
MAPT P10636 6/20 0.70
CASP7 P55210 2/20 0.70
HTT P42858 1/20 0.70
HSD17B10 Q99714 4/20 0.56
USP2 O75604 3/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 2/20 0.51
ALOX15 P16050 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5330697 0.94 ALDH1A1 (0.62) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5476253 0.94 GAA (0.71) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5329068 0.93 GAA (0.63) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5313632 0.90 ALDH1A1 (0.71) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5334382 0.90 ALDH1A1 (0.81) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5331289 0.88 ALDH1A1 (0.69) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5333414 0.86 GAA (0.72) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5337726 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5479688 0.84 GAA (0.65) ALDH1A1KDM4EGAACASP1MAPT
SCHEMBL5482759 0.84 ALDH1A1 (0.81) ALDH1A1KDM4EGAACASP1MAPT

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 ALDH1A1 1488/4885KDM4E 4033/4885GAA 3421/4885

“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.