SCHEMBL680835

SCHEMBL680835

COc1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.61
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
SCN5A Q14524 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL680358 0.92 SCN9A (0.64) SCN9ASCN5AMEN1LMNAMAPT
SCHEMBL679375 0.91 SCN9A (0.58) SCN9ASCN5A
SCHEMBL679029 0.90 SCN9A (0.56) SCN9ATAS1R3TAS1R1
SCHEMBL679751 0.89 SCN9A (0.58) SCN9ASCN5AMEN1LMNAMAPT
SCHEMBL16319549 0.89 SCN9A (0.58) SCN9ASCN5A
SCHEMBL679934 0.88 SCN9A (0.57) SCN9A
SCHEMBL16319475 0.87 SCN9A (0.62) SCN9ASCN5A
SCHEMBL16319447 0.86 SCN9A (0.53) SCN9ASCN5A
SCHEMBL680478 0.85 SCN9A (0.55) SCN9ASCN5A
SCHEMBL365840 0.85 SCN9A (0.60) SCN9ASCN5A

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 13/4885TAS1R3 253/4885TAS1R1 145/4885

“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.