SCHEMBL9972192

SCHEMBL9972192

Cn1cc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.66
PKM P14618 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
PTPN5 P54829 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
NAMPT P43490 1/20 0.54
FGB P02675 1/20 0.53

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
SCHEMBL15113528 0.85 CYP3A4 (0.66) SCN3APKMSMN1; SMN2KMT2AMEN1
SCHEMBL1102268 0.83 PKM (0.61) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL15116270 0.83 SCN3A (0.71) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL9972195 0.82 SCN3A (0.70) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL9974118 0.81 SCN3A (0.60) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL9972196 0.80 GLA (0.71) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL15116269 0.80 SCN3A (1.00) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL9972263 0.79 SCN3A (0.60) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL1105410 0.79 MEN1 (0.64) SCN3APKMSMN1; SMN2LMNATSHR
SCHEMBL1102112 0.78 SCN3A (0.56) SCN3APKMSMN1; SMN2LMNATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 SCN3A 17/4885PKM 4054/4885SMN1; SMN2 524/4885

“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.