SCHEMBL265676

SCHEMBL265676

C/C=C/C(=O)NCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
PPID Q08752 3/20 0.45
CNR2 P34972 1/20 0.45
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43
PPIG Q13427 1/20 0.43
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NLRP3 Q96P20 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 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
SCHEMBL7830394 0.84 GAA (0.53) GAAALDH1A1KDM4EMGAMSI
SCHEMBL21183495 0.82 CYP1A2 (0.51) GAAALDH1A1KDM4EMGAMSI
SCHEMBL28226928 0.82 CYP1A2 (0.51) GAAALDH1A1KDM4EMGAMSI
SCHEMBL11014638 0.80 GAA (0.53) GAAALDH1A1KDM4EMGAMSI
SCHEMBL13895096 0.79 GAA (0.49) GAAALDH1A1KDM4EMGAMSI
SCHEMBL7946756 0.79 PPID (0.62) GAAALDH1A1KDM4EMGAMSI
SCHEMBL9726440 0.78 GAA (0.52) GAAALDH1A1KDM4EMGAMSI
SCHEMBL4808647 0.78 GAA (0.52) GAAALDH1A1KDM4EMGAMSI
SCHEMBL24315873 0.78 GAA (0.44) GAAALDH1A1KDM4EMGAMSI
SCHEMBL11100545 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 GAA 4203/4885ALDH1A1 1934/4885KDM4E 3062/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 GAA 4528/4885ALDH1A1 2376/4885KDM4E 3128/4885

“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.