SCHEMBL679923

SCHEMBL679923

CCOc1cccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.47
SCN9A Q15858 11/20 0.45
KAT6A Q92794 2/20 0.44
SCN5A Q14524 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
LMNA P02545 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
SCHEMBL679849 0.90 SCN9A (0.46) SCN3ASCN9ASCN5AHPGD
SCHEMBL680209 0.88 SCN9A (0.48) SCN3ASCN9ASCN5ANPC1RAB9A
SCHEMBL680208 0.86 TBXA2R (0.49) SCN3ASCN9ASCN5A
SCHEMBL680555 0.85 SLC22A12 (0.50) SCN3ASCN9ASCN5ANPC1RAB9A
SCHEMBL680345 0.85 EZH2 (0.47) SCN3ASCN9ASCN5AHPGDLMNA
SCHEMBL679146 0.84 SCN9A (0.52) SCN3ASCN9ASCN5A
SCHEMBL679866 0.84 SCN9A (0.55) SCN3ASCN9ASMN1; SMN2KMT2ANPC1
SCHEMBL679345 0.82 SCN9A (0.51) SCN9ASCN5ALMNA
SCHEMBL680832 0.82 PLA2G7 (0.55) SCN9ASCN5A
SCHEMBL7985860 0.82 KAT6A (0.61) SCN3AKAT6ATP53SMN1; SMN2HTT

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 SCN3A 8/4885SCN9A 13/4885KAT6A 2752/4885

“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.