SCHEMBL17034712

SCHEMBL17034712

CCOC(=O)C(C)C(C)(C)CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
MMP8 P22894 1/20 0.41
CPB2 Q96IY4 2/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
SOAT1 P35610 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL18334522 0.98 MMP8 (0.40) CYP1A2MMP8CPB2ALOX15MGAM
Butane SCHEMBL27916270 0.79 ALDH1A1 (0.37) MMP8CPB2ALOX15MGAMGAA
SCHEMBL21052375 0.79 CYP1A2 (0.41) CYP1A2MMP8MGAMGAASI
SCHEMBL803804 0.78 ALDH1A1 (0.43) MMP8CPB2ALOX15MGAMGAA
SCHEMBL13537856 0.78 ALDH1A1 (0.43) MMP8CPB2ALOX15MGAMGAA
SCHEMBL803891 0.78 ALDH1A1 (0.43) MMP8CPB2ALOX15MGAMGAA
SCHEMBL18751318 0.78 CPB2 (0.39) CYP1A2MMP8CPB2ALOX15MGAM
SCHEMBL19690677 0.77 MMP8 (0.46) CYP1A2MMP8ALOX15MGAMGAA
Hydrochloric Acid SCHEMBL18334445 0.76 CPB2 (0.38) CYP1A2MMP8CPB2ALOX15MGAM
SCHEMBL27543681 0.76 CYP4F2 (0.41) MMP8CPB2ALDH1A1LMNAHSD17B10

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 4 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
CN-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 CN 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 CYP1A2 2334/4885MMP8 3499/4885CPB2 4150/4885

“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.