SCHEMBL9972209

SCHEMBL9972209

O=C(CN1CCc2cc(F)ccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.57
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
PKM P14618 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
DPP4 P27487 1/20 0.52
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL9972260 0.95 MEN1 (0.54) SCN3AMEN1KMT2APKMLMNA
SCHEMBL1102139 0.92 LMNA (0.57) SCN3AMEN1KMT2APKMLMNA
SCHEMBL9972210 0.90 AVPR2 (0.57) SCN3AMEN1KMT2APKMLMNA
SCHEMBL13828035 0.88 PKM (0.63) SCN3AMEN1KMT2APKMLMNA
SCHEMBL9972185 0.88 SCN3A (0.61) SCN3AMEN1KMT2APKMLMNA
SCHEMBL13629587 0.86 SCN3A (0.57) SCN3AMEN1KMT2AALDH1A1MAPT
SCHEMBL9972266 0.85 PKM (0.56) SCN3AMEN1KMT2APKMLMNA
SCHEMBL1092015 0.85 AVPR2 (0.55) SCN3AMEN1KMT2APKMLMNA
SCHEMBL9972228 0.83 PKM (0.61) SCN3AMEN1KMT2APKMLMNA
SCHEMBL1091209 0.82 MEN1 (0.64) SCN3AMEN1KMT2APKMLMNA

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 17/4885MEN1 2329/4885KMT2A 3111/4885

“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.