SCHEMBL17034723

SCHEMBL17034723

COC(=O)c1cc(Cl)c(F)cc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RORC P51449 1/20 0.41
SCN9A Q15858 2/20 0.41
ALPL P05186 1/20 0.40
MAP2 P11137 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
LMNA P02545 3/20 0.38
ULK1 O75385 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17034720 0.84 ALDH1A1 (0.44) ALDH1A1RORCSCN9AMAP2KCNQ3
SCHEMBL24515876 0.83 CA12 (0.40) HTTGAASMN1; SMN2RORCMAPT
SCHEMBL22987085 0.82 GAA (0.72) HTTGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8066375 0.82 RORC (0.44) HTTGAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL24515856 0.82 SOS1 (0.43) HTTGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL364771 0.79 GAA (0.49) HTTGAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL3661787 0.77 HTT (0.46) HTTGAAHPGDSMN1; SMN2RORC
SCHEMBL19554257 0.76 GAA (0.59) HTTGAAHPGDALDH1A1RORC
SCHEMBL72129 0.76 KDM4E (0.38) HTTALDH1A1SCN9AMAPTMEN1
SCHEMBL2551726 0.76 CA12 (0.49) HTTGAAHPGDSMN1; SMN2ALDH1A1

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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
WO-2015125786-A1 AMINOPYRAZOLONE DERIVATIVE 第一三共株式会社 2015-08-27 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL HTT 2201/4885GAA 2530/4885HPGD 4083/4885

“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.