SCHEMBL679782

SCHEMBL679782

CC(C)c1cccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.50
PTGS1 P23219 1/20 0.48
BCL2L1 Q07817 4/20 0.45
MCL1 Q07820 4/20 0.45
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
CASP1 P29466 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALOX5 P09917 1/20 0.42
PTGER3 P43115 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PGR P06401 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 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
SCHEMBL680063 0.86 KDM4E (0.54) SCN9ABCL2L1MCL1HDAC8HPGD
SCHEMBL680466 0.83 EZH2 (0.54) SCN9ABCL2L1MCL1HDAC8HPGD
SCHEMBL680286 0.83 PGR (0.60) SCN9ABCL2L1MCL1KMT2ASMN1; SMN2
SCHEMBL678831 0.82 BCL2L1 (0.52) SCN9ABCL2L1MCL1HDAC8HPGD
SCHEMBL678903 0.82 BCL2L1 (0.52) SCN9APTGS1BCL2L1MCL1MEN1
SCHEMBL680849 0.81 PTPN1 (0.52) SCN9ABCL2L1MCL1MEN1KMT2A
SCHEMBL13209252 0.81 KAT6A (0.58) SCN9AKMT2APTGER3HTTSMN1; SMN2
SCHEMBL679785 0.81 MCL1 (0.62) SCN9ABCL2L1MCL1HDAC8PGR
SCHEMBL679983 0.80 ACACB (0.50) BCL2L1MCL1SMN1; SMN2SCN3ALMNA
SCHEMBL16319187 0.79 MAPK14 (0.56) SCN9ABCL2L1MCL1HDAC8SMN1; SMN2

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 13/4885PTGS1 653/4885BCL2L1 3284/4885

“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.