SCHEMBL17035397

SCHEMBL17035397

COC(=O)C(C)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA14 Q9ULX7 2/20 0.47
APLNR P35414 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CNR2 P34972 1/20 0.37
DGAT1 O75907 1/20 0.36
PIK3CD O00329 1/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 2/20 0.34
CTSS P25774 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL22728175 0.82 CA1 (0.41) CA12CA14APLNRCA2CA1
SCHEMBL17035395 0.82 MEN1 (0.43) CA12CA14APLNRCA2CA1
SCHEMBL7922248 0.81 PIK3CD (0.47) CA12CA14APLNRCA2CA1
SCHEMBL3002117 0.79 CA12 (0.42) CA12CA14APLNRCA2CA1
SCHEMBL155157 0.79 CA12 (0.42) CA12CA14APLNRCA2CA1
SCHEMBL3008075 0.79 CA12 (0.42) CA12CA14APLNRCA2CA1
Hydrochloric Acid SCHEMBL3014916 0.78 CA12 (0.41) CA12CA14APLNRCA2CA1
SCHEMBL14831297 0.78 CA1 (0.43) CA12CA14APLNRCA2CA1
SCHEMBL28382751 0.76 CA1 (0.42) CA12CA14APLNRCA2CA1
SCHEMBL16855012 0.75 APLNR (0.42) CA12CA14APLNRCA2CA1

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 CA12 4742/4885CA14 4679/4885APLNR 3517/4885

“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.