SCHEMBL21770322

SCHEMBL21770322

CC(C)(C)OC(=O)NCCCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.55
▸ CTNNB1 P35222 10/20 0.53
▸ WNT3A P56704 7/20 0.53
▸ PKM P14618 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KLF5 Q13887 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 1/20 0.48
▸ GLA P06280 1/20 0.47

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
SCHEMBL13114817 0.93 ALDH1A1 (0.55) HPGDCTNNB1WNT3AALDH1A1SMN1; SMN2
SCHEMBL21770378 0.88 CTNNB1 (0.44) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL21753281 0.81 PKM (0.65) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL10031397 0.79 KDM4E (0.55) HPGDTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL24606355 0.78 ALDH1A1 (0.52) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL29533755 0.78 ALDH1A1 (0.52) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL30627676 0.78 MAPT (0.57) HPGDTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL8242151 0.77 CTNNB1 (0.52) CTNNB1WNT3ATSHRALDH1A1MAPT
SCHEMBL16404991 0.77 CTNNB1 (0.56) HPGDCTNNB1WNT3APKMTSHR
SCHEMBL4085154 0.76 MGLL (0.48) TDP1POLB

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HPGD 1673/4885CTNNB1 3935/4885WNT3A 2322/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP HPGD 1675/4885CTNNB1 3587/4885WNT3A 2169/4885

“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.

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