SCHEMBL4615305

SCHEMBL4615305

CN(C(=O)OC(C)(C)C)c1ccc(CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.56
PAX8 Q06710 1/20 0.48
CYP26B1 Q9NR63 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CA2 P00918 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
NR3C1 P04150 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1B1 P15121 1/20 0.40
ABCC4 O15439 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL15809946 0.86 LTB4R (0.51) NR1H4ALDH1A1HPGDHSD17B10
SCHEMBL4612952 0.85 CYP4F2 (0.47) NR1H4PAX8ALDH1A1LMNAGAA
SCHEMBL8018111 0.85 PAX8 (0.55) PAX8RXRALMNAGAATSHR
SCHEMBL7531272 0.84 PAX8 (0.50) NR1H4PAX8RXRALMNAGAA
SCHEMBL16197281 0.84 PAX8 (0.50) NR1H4PAX8RXRAALDH1A1HPGD
SCHEMBL14090333 0.83 PAX8 (0.49) NR1H4PAX8CA2ALDH1A1HPGD
SCHEMBL25960281 0.83 PAX8 (0.49) NR1H4PAX8RXRALMNAGAA
SCHEMBL13674397 0.83 PAX8 (0.49) NR1H4PAX8RXRALMNAGAA
SCHEMBL16856539 0.83 PAX8 (0.49) NR1H4PAX8LMNAGAATSHR
SCHEMBL14839652 0.82 PAX8 (0.44) NR1H4PAX8ALDH1A1LMNAGAA

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 disclosed
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 NR1H4 206/4885PAX8 2905/4885CYP26B1 232/4885

“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.