SCHEMBL680209

SCHEMBL680209

COc1cccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.48
SCN5A Q14524 3/20 0.48
SCN2B O60939 1/20 0.48
SCN1A P35498 1/20 0.48
SCN1B Q07699 1/20 0.48
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PLA2G7 Q13093 1/20 0.41

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
SCHEMBL679917 0.90 SCN9A (0.50) SCN9ASCN5APOLBPLA2G7
SCHEMBL680208 0.89 TBXA2R (0.49) SCN9ASCN5ASCN2BSCN1ASCN1B
SCHEMBL679923 0.88 SCN3A (0.47) SCN9ASCN5ANPC1RAB9ASCN3A
SCHEMBL680555 0.88 SLC22A12 (0.50) SCN9ASCN5ASCN2BSCN1ASCN1B
SCHEMBL679146 0.87 SCN9A (0.52) SCN9ASCN5ASCN3APLA2G7
SCHEMBL679345 0.85 SCN9A (0.51) SCN9ASCN5ASCN2BSCN1ASCN1B
SCHEMBL680832 0.84 PLA2G7 (0.55) SCN9ASCN5APLA2G7
SCHEMBL679836 0.84 SCN9A (0.51) SCN9ASCN5A
SCHEMBL679751 0.83 SCN9A (0.58) SCN9ASCN5ASCN2BSCN1ASCN1B
SCHEMBL16319332 0.82 SCN9A (0.61) SCN9ASCN5APLA2G7

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 5/4885SCN2B 6/4885

“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.