SCHEMBL21753281

SCHEMBL21753281

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ TP53 P04637 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ KLF5 Q13887 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ CTNNB1 P35222 11/20 0.63
▸ WNT3A P56704 7/20 0.62
▸ HPGD P15428 1/20 0.61
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ ATM Q13315 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL21753357 0.92 CTNNB1 (0.63) PKMTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL21753323 0.85 ALDH1A1 (0.47) PKMTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL16404992 0.84 PKM (0.71) PKMTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL653025 0.82 PKM (0.87) PKMTSHRALDH1A1CTNNB1WNT3A
SCHEMBL21770322 0.81 HPGD (0.55) PKMTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL7483165 0.80 HPGD (0.68) PKMTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL27611333 0.80 HPGD (0.82) PKMTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL1443787 0.79 PKM (1.00) PKMTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL16404991 0.79 CTNNB1 (0.56) PKMTSHRALDH1A1SMN1; SMN2CTNNB1
SCHEMBL17033396 0.78 HPGD (0.70) PKMTSHRALDH1A1SMN1; SMN2TP53

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 PKM 925/4885TSHR 2808/4885ALDH1A1 1182/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP PKM 789/4885TSHR 3111/4885ALDH1A1 1170/4885

“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