SCHEMBL23915573

SCHEMBL23915573

CC(=O)OCc1nc2cc(OCC3CC3)c(Br)cc2n1COCCS(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
CNR2 P34972 5/20 0.31
PDE4B Q07343 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
SCHEMBL23914853 0.89 XDH (0.38)
SCHEMBL23966548 0.89 DGAT1 (0.34) CNR2PDE4B
SCHEMBL23966550 0.88 CNR2 (0.32) CNR2PDE4B
SCHEMBL23914609 0.87 XDH (0.38)
SCHEMBL23966549 0.85 DGAT1 (0.34) CNR2PDE4B
SCHEMBL23914589 0.83 SCN9A (0.33) SCN9ACNR2
SCHEMBL23914849 0.82 XDH (0.37)
SCHEMBL23914673 0.82 SCN9A (0.33) SCN9A
SCHEMBL23966834 0.77 XDH (0.38) CNR2
SCHEMBL23908843 0.76 XDH (0.39)

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 SCN9A 3355/4885CNR2 17/4885PDE4B 628/4885

“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.