SCHEMBL23988475

SCHEMBL23988475

COc1c(C)cnc(C[S@+](C)[O-])c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.57
PDE10A Q9Y233 1/20 0.40
HSP90AA1 P07900 7/20 0.39
KMT2A Q03164 4/20 0.39
HSP90AB1 P08238 4/20 0.39
ATP4A P20648 4/20 0.39
ATP4B P51164 4/20 0.39
WDR5 P61964 3/20 0.39
TRAP1 Q12931 2/20 0.39
SHMT2 P34897 1/20 0.39
HSP90B1 P14625 1/20 0.39
BRS3 P32247 2/20 0.38
DDAH1 O94760 2/20 0.38
ENGASE Q8NFI3 2/20 0.38
SARM1 Q6SZW1 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
CYP2C9 P11712 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28586438 0.85 AGXT (0.55) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL29662197 0.85 AGXT (0.55) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL28797303 0.83 AGXT (0.53) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL23988600 0.80 SARM1 (0.44) AGXTATP4AATP4BSARM1ATP1A1
SCHEMBL22699665 0.79 AGXT (0.52) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL29382857 0.77 AGXT (0.66) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL1060082 0.77 AGXT (0.66) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL154027 0.77 AGXT (0.66) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL8830165 0.76 AGXT (0.46) AGXTPDE10AHSP90AA1KMT2AHSP90AB1
SCHEMBL3022770 0.76 AGXT (0.46) AGXTPDE10AHSP90AA1KMT2AHSP90AB1

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-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 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-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 AGXT 900/4885PDE10A 348/4885HSP90AA1 670/4885

“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.