SCHEMBL23914583

SCHEMBL23914583

CS(C)(C)CCOCn1c(CCl)nc2cc(C#N)c(OCC3CC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.35
IKBKE Q14164 3/20 0.33
TBK1 Q9UHD2 2/20 0.31

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
SCHEMBL23914584 0.92 XDH (0.34) XDHIKBKETBK1
SCHEMBL23915309 0.91 XDH (0.37) XDHIKBKETBK1
SCHEMBL23914757 0.88 XDH (0.36) XDHIKBKETBK1
SCHEMBL23914673 0.88 SCN9A (0.33)
SCHEMBL23914609 0.86 XDH (0.38) XDHIKBKETBK1
SCHEMBL23915460 0.85
SCHEMBL23909131 0.84 XDH (0.36) XDHIKBKETBK1
SCHEMBL23914853 0.83 XDH (0.38) XDHIKBKETBK1
SCHEMBL23909001 0.79 XDH (0.38) XDHIKBKETBK1
SCHEMBL23914589 0.78 SCN9A (0.33)

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 XDH 3672/4885IKBKE 1543/4885TBK1 2445/4885

“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.