SCHEMBL679866

SCHEMBL679866

CCOc1cccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.55
MRGPRX4 Q96LA9 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MCL1 Q07820 2/20 0.46
BCL2L1 Q07817 1/20 0.46
MITF O75030 1/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SCN3A Q9NY46 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL679751 0.87 SCN9A (0.58) SCN9ASMN1; SMN2MEN1LMNAKMT2A
SCHEMBL680538 0.85 SCN9A (0.53) SCN9AMRGPRX4ALDH1A1MAPT
SCHEMBL679934 0.85 SCN9A (0.57) SCN9AMRGPRX4MCL1BCL2L1
SCHEMBL680190 0.84 SCN9A (0.55) SCN9AMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL679923 0.84 SCN3A (0.47) SCN9ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL679983 0.83 ACACB (0.50) NPC1RAB9ASMN1; SMN2MCL1BCL2L1
SCHEMBL7985860 0.82 KAT6A (0.61) NPC1RAB9ASMN1; SMN2POLBLMNA
SCHEMBL365442 0.82 SCN9A (0.64) SCN9A
SCHEMBL680193 0.81 MRGPRX4 (0.61) SCN9AMRGPRX4
SCHEMBL679816 0.81 SCN9A (0.52) SCN9AMRGPRX4

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 13/4885MRGPRX4 344/4885NPC1 1918/4885

“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.