SCHEMBL13114817

SCHEMBL13114817

CC(C)(C)OC(=O)NCCCC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HPGD P15428 5/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CTNNB1 P35222 9/20 0.51
▸ WNT3A P56704 9/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ GAA P10253 1/20 0.47
▸ MAOB P27338 1/20 0.46

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
SCHEMBL21770322 0.93 HPGD (0.55) ALDH1A1HPGDCTNNB1WNT3ASMN1; SMN2
SCHEMBL21770378 0.83 CTNNB1 (0.44) ALDH1A1HPGDMEN1KMT2ACTNNB1
SCHEMBL21753357 0.81 CTNNB1 (0.63) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28496847 0.78 SMN1; SMN2 (0.56) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8242151 0.77 CTNNB1 (0.52) ALDH1A1KDM4EMEN1KMT2ACTNNB1
SCHEMBL24350075 0.76 NPC1 (0.54) MEN1KMT2ARAB9AGAA
SCHEMBL4085154 0.76 MGLL (0.48) MEN1KMT2AGAAMAOB
SCHEMBL1760150 0.76 HDAC1 (0.49) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL1929771 0.76 SIGMAR1 (0.52) MEN1KMT2AGAA
SCHEMBL15162004 0.76 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 — — US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 — — US disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 — — WO disclosed
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 — — US disclosed
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 — — US disclosed
EP-1891038-B1 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-10-29 — — EP disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 — — US disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 — — 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 (3 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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP ALDH1A1 1182/4885KDM4E 2209/4885HPGD 1673/4885
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators AR, FSHR, SHBG ALDH1A1 1474/4885KDM4E 2955/4885HPGD 429/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP ALDH1A1 1170/4885KDM4E 1934/4885HPGD 1675/4885

“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.

Send feedback