SCHEMBL1102135

SCHEMBL1102135

CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 8/20 0.51
MEN1 O00255 7/20 0.51
POLB P06746 3/20 0.51
SCN3A Q9NY46 3/20 0.50
SCN9A Q15858 2/20 0.50
SCN1A P35498 1/20 0.50
SCN4A P35499 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50

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
SCHEMBL1102057 0.87 MEN1 (0.60) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL1102265 0.85 KMT2A (0.61) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL9972284 0.85 MEN1 (0.56) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL1102089 0.84 MEN1 (0.55) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL2626034 0.83 SCN9A (0.47) SCN3ASCN9ASCN5A
SCHEMBL10310724 0.83 SCN9A (0.47) SCN3ASCN9ASCN5A
SCHEMBL1102114 0.83 KMT2A (0.61) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL9972249 0.82 MEN1 (0.55) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL1091270 0.82 MEN1 (0.60) ALDH1A1TDP1KDM4EKMT2AMEN1
SCHEMBL10165439 0.82 GPR27 (0.40) KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885TDP1 2356/4885KDM4E 2385/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885TDP1 2356/4885KDM4E 2385/4885

“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.