SCHEMBL1102128

SCHEMBL1102128

CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
GFER P55789 1/20 0.63
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
SCN3A Q9NY46 3/20 0.60
SCN8A Q9UQD0 2/20 0.60
SCN1B Q07699 1/20 0.60
SCN1A P35498 1/20 0.60
SCN4A P35499 1/20 0.60
SCN5A Q14524 1/20 0.60
SCN9A Q15858 1/20 0.60
SCN2A Q99250 1/20 0.60
SCN10A Q9Y5Y9 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 4/20 0.55
CYP3A4 P08684 1/20 0.55
PTGS1 P23219 1/20 0.55
MAPT P10636 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
SCHEMBL1091410 0.95 MEN1 (0.58) GAAGFERMEN1KMT2ASCN3A
SCHEMBL1102124 0.88 MEN1 (0.59) MEN1KMT2ASCN3ASCN8ASCN1B
SCHEMBL9972282 0.86 KMT2A (0.59) MEN1KMT2ASCN3ASCN8ASCN1B
SCHEMBL9972281 0.84 MEN1 (0.58) MEN1KMT2ASCN3ASCN8ASCN1B
SCHEMBL9974094 0.83 MEN1 (0.57) MEN1KMT2ASCN3ASCN8ASCN1A
SCHEMBL1091911 0.82 SCN3A (0.64) MEN1KMT2ASCN3ASCN8ASCN1B
SCHEMBL9972185 0.81 SCN3A (0.61) GAAMEN1KMT2ASCN3ASCN8A
SCHEMBL1102070 0.79 CHRM2 (0.65) MEN1KMT2ASCN3ASCN8ASCN1A
SCHEMBL9972283 0.78 MEN1 (0.59) MEN1KMT2ASCN3ASCN8ASCN1A
SCHEMBL1091209 0.78 MEN1 (0.64) GAAMEN1KMT2ASCN3ASCN8A

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 10 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-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-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (3 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 GAA 1483/4885GFER 2334/4885MEN1 2329/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 GAA 1483/4885GFER 2334/4885MEN1 2329/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 GAA 1483/4885GFER 2334/4885MEN1 2329/4885

“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.