SCHEMBL9972284

SCHEMBL9972284

CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2cc(Cl)c(Cl)cc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
SCN3A Q9NY46 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 3/20 0.54
SCN1A P35498 1/20 0.53
SCN4A P35499 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
AVPR2 P30518 1/20 0.53
GPR27 Q9NS67 1/20 0.53
PPIA P62937 2/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL1091270 0.90 MEN1 (0.60) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL1102057 0.90 MEN1 (0.60) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL1102114 0.88 KMT2A (0.61) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL1102089 0.87 MEN1 (0.55) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL1102265 0.86 KMT2A (0.61) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL1102100 0.85 MEN1 (0.56) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL1102135 0.85 ALDH1A1 (0.53) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL2626127 0.82 SCN9A (0.49) MEN1KMT2ASCN3AKDM4EALDH1A1
SCHEMBL9974111 0.81 LMNA (0.57) MEN1KMT2ASCN3ATDP1KDM4E
SCHEMBL1102264 0.81 TDP1 (0.56) MEN1KMT2ASCN3ATDP1KDM4E

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 5 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

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 MEN1 2329/4885KMT2A 3111/4885SCN3A 17/4885

“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.