SCHEMBL680509

SCHEMBL680509

CCOc1ccccc1Oc1ccc(C(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.50
SCN9A Q15858 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PLK1 P53350 1/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GRM2 Q14416 1/20 0.44
NPC1 O15118 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL680720 0.86 EZH2 (0.58) SCN3AALDH1A1HPGDRAB9AMEN1
SCHEMBL679939 0.85 MEN1 (0.60) SCN3ASCN9AALDH1A1GAALPAR1
SCHEMBL679991 0.85 PLK1 (0.59) SCN3AALDH1A1HPGDPLK1RAB9A
SCHEMBL7990905 0.83 PLK1 (0.65) SCN3AALDH1A1HPGDPLK1RAB9A
SCHEMBL679956 0.82 MAPK14 (0.55) SCN3ASCN9AALDH1A1GAAHPGD
SCHEMBL680203 0.82 SCN3A (0.45) SCN3ASCN9AHPGDRAB9AMEN1
SCHEMBL680618 0.81 MAPK14 (0.54) SCN3ASCN9ALPAR1LPAR5MEN1
SCHEMBL680159 0.81 CXCL8 (0.59) SCN3ASCN9ALPAR1LPAR5BCL2L1
SCHEMBL679137 0.81 RORC (0.52) SCN3ASCN9ARAB9AMEN1KMT2A
SCHEMBL679983 0.81 ACACB (0.50) SCN3APLK1RAB9ANPC1L3MBTL1

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 13/4885ALDH1A1 643/4885

“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.