SCHEMBL685592

SCHEMBL685592

Cc1ccc(OC(=O)c2cc(F)c(Oc3ccc(Cl)c(OC(F)(F)F)c3)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.51
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL365478 0.94 SCN9A (0.52) SCN9A
SCHEMBL366078 0.86 SCN9A (0.61) SCN9ALMNASCN8ASCN10A
SCHEMBL16319395 0.85 SCN9A (0.46) SCN9ALMNAMEN1KMT2ANPSR1
SCHEMBL365466 0.81 SCN9A (0.46) SCN9ALMNAMEN1KMT2ANPSR1
SCHEMBL364739 0.80 SCN9A (0.51) SCN9ALMNA
SCHEMBL365174 0.80 SCN9A (0.61) SCN9A
SCHEMBL16319560 0.79 SCN9A (0.41) SCN9ALMNA
SCHEMBL16319664 0.78 SCN9A (0.77) SCN9A
SCHEMBL365104 0.77 SCN9A (0.44) SCN9ALMNAMEN1KMT2ACYP1A2
SCHEMBL680124 0.77 SCN9A (0.51) SCN9ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A SCN9A 13/4885BRAF 514/4885KDR 2926/4885

“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.