SCHEMBL680096

SCHEMBL680096

COc1cc(C)cc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP13 P45452 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SCN9A Q15858 7/20 0.45
SCN2B O60939 1/20 0.45
SCN1A P35498 1/20 0.45
SCN1B Q07699 1/20 0.45

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
SCHEMBL680496 0.92 MMP13 (0.51) SMN1; SMN2ALDH1A1CYP3A4MMP13SCN9A
SCHEMBL680791 0.87 CA1 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL679907 0.85 SCN9A (0.50) SMN1; SMN2ALDH1A1KMT2AMMP13SCN9A
SCHEMBL680286 0.85 PGR (0.60) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL680561 0.84 MMP13 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL7985093 0.82 CA1 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL680466 0.82 EZH2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL678507 0.79 SCN9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL680757 0.79 SCN9A (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL679703 0.79 SCN9A (0.49) SMN1; SMN2MEN1KMT2AMMP13SCN9A

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 SMN1; SMN2 282/4885NPC1 1918/4885RAB9A 968/4885

“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.