SCHEMBL21639937

SCHEMBL21639937

CCS(=O)(=O)C1CN(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNA3 P32297 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ CHRNB3 Q05901 2/20 0.33
▸ CHRNA6 Q15825 2/20 0.33
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ RBP4 P02753 1/20 0.30

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
SCHEMBL21372150 0.83 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16414984 0.79 KMT2A (0.32) KMT2A
SCHEMBL2771480 0.79 ADRB3 (0.39) —
SCHEMBL16416575 0.79 TSHR (0.36) KMT2A
SCHEMBL21372146 0.78 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29086022 0.78 GAA (0.45) KMT2A
SCHEMBL16239742 0.77 RBP4 (0.32) RBP4
SCHEMBL20213981 0.75 — —
SCHEMBL23578989 0.74 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL21640381 0.74 NR1H2 (0.51) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 — — US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 — — EP 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 CHRNB2 2256/4885CHRNA3 2398/4885CHRNA4 2330/4885

“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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