SCHEMBL4613199

SCHEMBL4613199

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(Cc3ccccc3F)c3nc4c([nH]3)c(=O)[nH]c(=O)n4CC3CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 14/20 0.47
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
GFER P55789 1/20 0.37
HPGD P15428 1/20 0.37
BDKRB1 P46663 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3978661 0.93 PCK1 (0.53) PCK1KMT2AMEN1
SCHEMBL3977690 0.90 PCK1 (0.52) PCK1KMT2AMEN1
SCHEMBL3982176 0.90 PCK1 (0.50) PCK1KMT2AMEN1
SCHEMBL4615524 0.88 PCK1 (0.48) PCK1
SCHEMBL4614243 0.87 PCK1 (0.53) PCK1
SCHEMBL4612921 0.87 PCK1 (0.58) PCK1
SCHEMBL4612950 0.87 PCK1 (0.45) PCK1
SCHEMBL6279236 0.86 PCK1 (0.42) PCK1ALDH1A1
SCHEMBL4614318 0.85 PCK1 (0.43) PCK1ALDH1A1
SCHEMBL4612956 0.85 PCK1 (0.55) PCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP claimed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US claimed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP claimed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US claimed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 WO 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
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 PCK1 36/4885KMT2A 2608/4885GAA 486/4885

“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.