SCHEMBL9972263

SCHEMBL9972263

Cc1c(C)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.60
PKM P14618 4/20 0.58
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 3/20 0.55
RECQL P46063 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HPGD P15428 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
SCHEMBL9972254 0.84 SCN3A (0.61) SCN3APKMALDH1A1SMN1; SMN2LMNA
SCHEMBL9974118 0.84 SCN3A (0.60) SCN3APKMALDH1A1SMN1; SMN2CA12
SCHEMBL9972232 0.80 MEN1 (0.62) SCN3APKMALDH1A1SMN1; SMN2LMNA
SCHEMBL1091775 0.79 SCN3A (0.64) SCN3APKMALDH1A1SMN1; SMN2LMNA
SCHEMBL1102112 0.79 SCN3A (0.56) SCN3APKMALDH1A1SMN1; SMN2LMNA
SCHEMBL9972192 0.79 SCN3A (0.66) SCN3APKMALDH1A1SMN1; SMN2LMNA
SCHEMBL1102268 0.79 PKM (0.61) SCN3APKMALDH1A1SMN1; SMN2CA12
SCHEMBL9974130 0.78 ALDH1A1 (0.60) SCN3APKMALDH1A1SMN1; SMN2LMNA
SCHEMBL9974134 0.78 SCN3A (0.57) SCN3APKMALDH1A1SMN1; SMN2LMNA
SCHEMBL1102123 0.78 PKM (0.62) SCN3APKMALDH1A1SMN1; SMN2LMNA

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 4054/4885ALDH1A1 2811/4885

“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.