SCHEMBL9972282

SCHEMBL9972282

CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
SCN3A Q9NY46 3/20 0.59
SCN8A Q9UQD0 2/20 0.59
SCN1A P35498 1/20 0.59
SCN4A P35499 1/20 0.59
SCN5A Q14524 1/20 0.59
SCN9A Q15858 1/20 0.59
SCN2A Q99250 1/20 0.59
SCN10A Q9Y5Y9 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 4/20 0.55
SCN1B Q07699 1/20 0.52
CYP3A4 P08684 1/20 0.52
PTGS1 P23219 1/20 0.52
MAPT P10636 1/20 0.51
PKM P14618 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
SCHEMBL9972283 0.87 MEN1 (0.59) KMT2AMEN1SCN3ASCN8ASCN1A
SCHEMBL1102128 0.86 GAA (0.63) KMT2AMEN1SCN3ASCN8ASCN1A
SCHEMBL1091410 0.83 MEN1 (0.58) KMT2AMEN1SCN3ASCN8ASCN1A
SCHEMBL9972227 0.80 SCN3A (0.61) KMT2AMEN1SCN3ATDP1KDM4E
SCHEMBL9974094 0.79 MEN1 (0.57) KMT2AMEN1SCN3ASCN8ASCN1A
SCHEMBL1102124 0.78 MEN1 (0.59) KMT2AMEN1SCN3ASCN8ASCN1A
SCHEMBL29602496 0.77 LMNA (0.56) KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL1102265 0.76 KMT2A (0.61) KMT2AMEN1SCN3ASCN8ASCN1A
SCHEMBL14778125 0.76 HPGD (0.57) KMT2AMEN1SCN3ASCN8ASCN9A
SCHEMBL1091645 0.76 TDP1 (0.73) KMT2AMEN1SCN3ASCN8ASCN1A

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 KMT2A 3111/4885MEN1 2329/4885SCN3A 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.