SCHEMBL4612977

SCHEMBL4612977

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(S(=O)(=O)Nc4nccs4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 8/20 0.41
SCN8A Q9UQD0 8/20 0.41
SCN5A Q14524 7/20 0.41
SCN1B Q07699 2/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 3/20 0.37
SCN9A Q15858 2/20 0.37
MAPT P10636 1/20 0.36
PCK1 P35558 1/20 0.36
SCN3A Q9NY46 3/20 0.36
SCN4A P35499 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL4613758 0.90 MEN1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4614488 0.89 KDM4E (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4612939 0.87 PCK1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4614552 0.87 PCK1 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4614662 0.87 PCK1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4615595 0.86 PCK1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4614826 0.85 HTT (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4614819 0.85 PCK1 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4614679 0.85 PCK1 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL4614787 0.85 PCK1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E

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-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US claimed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US claimed
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 SCN1A 1465/4885SCN8A 2146/4885SCN5A 1880/4885

“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.