SCHEMBL23366183

SCHEMBL23366183

O=C(OCc1ccccc1)C(=O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)C(=O)OCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 6/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP2C19 P33261 1/20 0.43
FKBP1A P62942 1/20 0.43
CYP1A2 P05177 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43

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
SCHEMBL24180284 0.88 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL7642406 0.85 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL17391167 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL12856110 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL13865266 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL17391166 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL12856117 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL23963805 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL7639964 0.82 FKBP1A (0.50) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL304689 0.82 FKBP1A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007274-B2 Compounds for medicinal applications AusVir Therapeutics Pty Ltd (AU) 2021-05-18 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 (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-11007274-B2 Compounds for medicinal applications HAVCR2, ENGASE, DNPEP SMN1; SMN2 4112/4885NPC1 890/4885RAB9A 1747/4885

“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.