SCHEMBL5330211

SCHEMBL5330211

CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.63
KDM4E B2RXH2 11/20 0.60
ALDH1A1 P00352 11/20 0.60
MAPT P10636 6/20 0.60
HSD17B10 Q99714 5/20 0.60
USP2 O75604 3/20 0.60
TP53 P04637 3/20 0.60
CASP1 P29466 6/20 0.59
CASP7 P55210 2/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 6/20 0.57
TSHR P16473 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52
CYP2C9 P11712 4/20 0.51
TBXA2R P21731 3/20 0.51
ADRA1A P35348 3/20 0.51
SLC6A3 Q01959 3/20 0.51
CYP2C19 P33261 3/20 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
SCHEMBL5478793 0.92 GAA (0.66) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5334657 0.89 GAA (0.63) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5330751 0.89 GAA (0.71) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5332509 0.88 GAA (0.65) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5331651 0.87 GAA (0.61) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5315299 0.87 GAA (0.73) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5479881 0.86 GAA (0.60) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5333978 0.86 GAA (0.62) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5335812 0.85 ALDH1A1 (0.71) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5311592 0.85 GAA (0.73) GAAKDM4EALDH1A1MAPTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
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 3421/4885KDM4E 4033/4885ALDH1A1 1488/4885

“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.