SCHEMBL23366204

SCHEMBL23366204

O=C(CC(NC(=O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)C(=O)OCc2ccccc2)C1)C(=O)NCS(=O)(=O)O)NCS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
S1PR1 P21453 1/20 0.34
KDM1A O60341 6/20 0.33
MAOA P21397 4/20 0.33
CYP3A4 P08684 3/20 0.33
RCOR1 Q9UKL0 3/20 0.33
TSHR P16473 2/20 0.33
PSMB11 A5LHX3 2/20 0.33
PSMD11 O00231 2/20 0.33
PSMD12 O00232 2/20 0.33
PSMD14 O00487 2/20 0.33
PSMA7 O14818 2/20 0.33
PSMD3 O43242 2/20 0.33
PSMC3 P17980 2/20 0.33

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
SCHEMBL23366239 0.97 CTSS (0.35) ALDH1A1CYP1A2CTSLCTSBCTSS
SCHEMBL24180261 0.84 PSMB5 (0.34) ALDH1A1GAACYP1A2S1PR1KDM1A
SCHEMBL24180291 0.82 FPR2 (0.31)
SCHEMBL23366189 0.81 PSMB5 (0.36) ALDH1A1S1PR1CYP3A4TSHRPSMB5
SCHEMBL23366221 0.81 PSMB5 (0.36) ALDH1A1S1PR1CYP3A4TSHRPSMB5
SCHEMBL23366166 0.75 CASP1 (0.47) GAA
SCHEMBL23366183 0.74 SMN1; SMN2 (0.52) ALDH1A1GAACYP1A2KDM1AMAOA
SCHEMBL23366182 0.72 PSMB5 (0.34) ALDH1A1CYP1A2CTSLCTSBCTSS
SCHEMBL23366220 0.69
SCHEMBL23366205 0.69

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 ALDH1A1 735/4885GAA 229/4885CYP1A2 1314/4885

“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.