SCHEMBL679849

SCHEMBL679849

CCOc1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.46
SCN5A Q14524 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PLA2G7 Q13093 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PLK1 P53350 1/20 0.42
SCN3A Q9NY46 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL679923 0.90 SCN3A (0.47) SCN9ASCN5AHPGDSCN3A
SCHEMBL679917 0.87 SCN9A (0.50) SCN9ASCN5AHDAC1HDAC8HDAC6
SCHEMBL680345 0.86 EZH2 (0.47) SCN9ASCN5AHDAC1HDAC8HDAC6
SCHEMBL680375 0.84 SCN9A (0.50) SCN9ASCN5APLA2G7BCL2L1MCL1
SCHEMBL16319332 0.82 SCN9A (0.61) SCN9ASCN5APLA2G7BCL2L1MCL1
SCHEMBL680832 0.82 PLA2G7 (0.55) SCN9ASCN5APLA2G7
SCHEMBL679991 0.80 PLK1 (0.59) ALDH1A1HPGDPLK1SCN3A
SCHEMBL680209 0.80 SCN9A (0.48) SCN9ASCN5APLA2G7SCN3A
SCHEMBL680208 0.80 TBXA2R (0.49) SCN9ASCN5APLA2G7SCN3A
SCHEMBL16319948 0.80 SCN9A (0.51) SCN9ASCN5AALDH1A1HPGDSCN3A

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP 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 13/4885SCN5A 5/4885HDAC1 493/4885

“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.