SCHEMBL17815971

SCHEMBL17815971

Cc1ccc2c(c1)OCC(COCF)O2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
FFAR1 O14842 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 1/20 0.37
PYGL P06737 1/20 0.36

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
SCHEMBL17815696 0.82 CA2 (0.45) CA2FFAR1L3MBTL1GAARAB9A
SCHEMBL8259889 0.78 CA2 (0.56) CA2FFAR1L3MBTL1GAARAB9A
SCHEMBL1107087 0.77 CA2 (0.51) CA2GAARAB9ALMNA
SCHEMBL1107090 0.77 CA2 (0.51) CA2GAARAB9ALMNA
SCHEMBL8288367 0.77 CA2 (0.51) CA2GAARAB9ALMNA
SCHEMBL8596072 0.77 CA2 (0.51) CA2GAAALDH1A1RAB9ALMNA
SCHEMBL9116625 0.77 CA2 (0.55) CA2GAARAB9ALMNA
SCHEMBL10832816 0.76 CA2 (0.51) CA2FFAR1GAAALDH1A1RAB9A
SCHEMBL11222928 0.75 CA2 (0.49) CA2GAARAB9ALMNA
SCHEMBL19776224 0.73 CA2 (0.54) CA2FFAR1L3MBTL1GAARAB9A

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 CA2 249/4885FFAR1 898/4885L3MBTL1 4161/4885

“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.