SCHEMBL4612950

SCHEMBL4612950

O=c1[nH]c(=O)n(CC2CC2)c2nc(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 13/20 0.45
PGR P06401 1/20 0.36
PTPN1 P18031 2/20 0.36
GBA1 P04062 1/20 0.35
DPP4 P27487 1/20 0.35
PDE5A O76074 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HSPD1 P10809 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN5 P54829 1/20 0.34
HSPE1 P61604 1/20 0.34

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
SCHEMBL4614318 0.91 PCK1 (0.43) PCK1PGRPTPN1PDE5APDE4A
SCHEMBL6450212 0.89 PCK1 (0.38) PCK1PDE5APDE4APDE4BPDE4C
SCHEMBL4614243 0.88 PCK1 (0.53) PCK1DPP4PDE5APDE4APDE4B
SCHEMBL4612921 0.88 PCK1 (0.58) PCK1PDE5APDE4APDE4BPDE4C
SCHEMBL4613199 0.87 PCK1 (0.47) PCK1
SCHEMBL6277476 0.86 PCK1 (0.39) PCK1PGRPDE5APDE4APDE4B
SCHEMBL4613677 0.86 PCK1 (0.42) PCK1
SCHEMBL4612956 0.85 PCK1 (0.55) PCK1PDE5APDE4APDE4BPDE4C
SCHEMBL4614242 0.85 PCK1 (0.58) PCK1
SCHEMBL4614233 0.84 PCK1 (0.47) 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 10 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
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 PCK1 36/4885PGR 3598/4885PTPN1 820/4885

“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.