SCHEMBL4615405

SCHEMBL4615405

Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(CC(=O)O)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 4/20 0.48
ACLY P53396 2/20 0.48
MCL1 Q07820 1/20 0.43
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.40
MAPT P10636 1/20 0.38
CCR2 P41597 1/20 0.38
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3618812 0.76 HSD11B1 (0.47) ACLYMCL1GAAMAPT
SCHEMBL4614847 0.75 SMN1; SMN2 (0.48) SGK1ACLYMCL1GAAPTGDR2
SCHEMBL94997 0.74 SGK1 (0.53) SGK1ACLYMCL1GAAMAPT
SCHEMBL27621550 0.73 ALDH1A1 (0.60) SGK1ACLYMCL1
SCHEMBL4614856 0.71 ACLY (0.41) SGK1ACLYMCL1GAAMAPT
SCHEMBL3956139 0.70 ACLY (0.51) SGK1ACLYMCL1GAAMAPT
SCHEMBL14721124 0.68 MCL1 (0.47) SGK1ACLYMCL1GAAMAPT
SCHEMBL5653065 0.68 MEN1 (0.49) SGK1ACLYMCL1GAAMAPT
SCHEMBL15882311 0.67 ACLY (0.50) SGK1ACLYMCL1GAACCR2
SCHEMBL3981549 0.67 ACLY (0.62) ACLYMCL1CCR2TSHR

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
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
CN-100361992-C Sulfonamide substituted xanthine derivatives for use as PEPCK inhibitors HOFFMANN LA ROCHE (CH) 2008-01-16 CN disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
CN-1751044-A Sulfonamide substituted xanthine derivatives for use as PEPCK inhibitors HOFFMANN LA ROCHE (CH) 2006-03-22 CN 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 SGK1 461/4885ACLY 393/4885MCL1 3915/4885

“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.