SCHEMBL17811779

SCHEMBL17811779

CC(C)c1ccc(OCCOC(F)(F)F)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 11/20 0.39
AAK1 Q2M2I8 4/20 0.34
METAP2 P50579 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
SCHEMBL17811776 0.84 S1PR4 (0.38) S1PR4AAK1
SCHEMBL17812432 0.82 S1PR4 (0.47) S1PR4
SCHEMBL17811774 0.82
SCHEMBL17815784 0.81 S1PR4 (0.46) S1PR4
SCHEMBL17811773 0.81 L3MBTL1 (0.32)
SCHEMBL16371814 0.73 MRGPRX4 (0.44) S1PR4
SCHEMBL17811811 0.72 PPARA (0.39) S1PR4
SCHEMBL17815734 0.68 S1PR4 (0.55) S1PR4
SCHEMBL17811819 0.68 PDE2A (0.40) S1PR4
SCHEMBL17811800 0.68 SMN1; SMN2 (0.42)

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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 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-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 S1PR4 945/4885AAK1 457/4885METAP2 3262/4885

“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.