SCHEMBL17034713

SCHEMBL17034713

CCOC(=O)CC(C)(C)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
TRPA1 O75762 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL13550899 0.87 ALDH1A1 (0.33) ALDH1A1TSHRKMT2AMEN1
SCHEMBL4869552 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12715665 0.81 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14157029 0.80 CYP1A2 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1466765 0.79 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13079905 0.78 TSHR (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15445438 0.78 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5503646 0.77 CYP1A2 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14016347 0.76 MEN1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7936528 0.76 KMT2A (0.42) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260027131-A1 PRODRUGS, PRODRUG COMPOSITIONS AND RELATED METHODS PRAESIDIA BIOTHERAPEUTICS INC (US) 2026-01-29 US disclosed
WO-2024020379-A2 PRODRUGS, PRODRUG COMPOSITIONS AND RELATED METHODS PRAESIDIA BIOTHERAPEUTICS INC. (US) 2024-01-25 WO disclosed
WO-2024020379-A2 PRODRUGS, PRODRUG COMPOSITIONS AND RELATED METHODS PRAESIDIA BIOTHERAPEUTICS INC. (US) 2024-01-25 WO disclosed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
EP-3793551-A1 OXADIAZOLE COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-03-24 EP disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 WO 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
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 (4 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-20260027131-A1 PRODRUGS, PRODRUG COMPOSITIONS AND RELATED METHODS DNPEP, SLC7A1, SLC6A7 GAA 2035/4885MGAM 3254/4885SI 404/4885
US-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 GAA 3514/4885MGAM 4707/4885SI 3919/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 GAA 3514/4885MGAM 4707/4885SI 3919/4885
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL GAA 2530/4885MGAM 4640/4885SI 4262/4885

“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.