SCHEMBL23914599

SCHEMBL23914599

COC(=O)c1cc2cc(Cl)c(OCC3CC3)cc2n1COCCS(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.39
PTGS2 P35354 3/20 0.38
KMO O15229 1/20 0.37
SCN5A Q14524 1/20 0.35

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
SCHEMBL23914598 0.87 KMO (0.39) SCN9AKMO
SCHEMBL23914600 0.83 SCN9A (0.36) SCN9AKMO
SCHEMBL23914624 0.75 NOD2 (0.34)
SCHEMBL23914587 0.75 S1PR2 (0.50) KMO
SCHEMBL23909068 0.69 KMO (0.37) KMO
SCHEMBL23914589 0.67 SCN9A (0.33) SCN9A
SCHEMBL23914673 0.67 SCN9A (0.33) SCN9A
SCHEMBL23915555 0.66
SCHEMBL23909155 0.65 FGFR1 (0.49) SCN9A
SCHEMBL21662632 0.65 SCN9A (0.49) SCN9A

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 3355/4885PTGS2 415/4885KMO 2034/4885

“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.