SCHEMBL9972193

SCHEMBL9972193

O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.58
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
PKM P14618 3/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GLA P06280 1/20 0.53
ALDH1A1 P00352 5/20 0.51
CA1 P00915 1/20 0.51
RECQL P46063 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL9972196 0.87 GLA (0.71) SCN3AMEN1KMT2APKMLMNA
SCHEMBL8812559 0.77 TSHR (0.60) TSHR
SCHEMBL9972221 0.75 PKM (0.70) SCN3AMEN1KMT2APKMLMNA
SCHEMBL15113333 0.75 PKM (0.82) SCN3AMEN1KMT2APKMLMNA
SCHEMBL15116270 0.75 SCN3A (0.71) SCN3AMEN1KMT2APKMLMNA
SCHEMBL15113283 0.75 KMT2A (0.68) MEN1KMT2APKMLMNATSHR
SCHEMBL1102062 0.75 PKM (0.75) SCN3AMEN1KMT2APKMLMNA
SCHEMBL9972195 0.74 SCN3A (0.70) SCN3AMEN1KMT2APKMLMNA
SCHEMBL15113347 0.74 PKM (0.73) SCN3AMEN1KMT2APKMLMNA
SCHEMBL15116269 0.74 SCN3A (1.00) 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.