SCHEMBL4614732

SCHEMBL4614732

CN(C(=O)OC(C)(C)C)c1ccc(CC(=O)Nc2c(N)[nH]c(=O)n(Cc3ccccc3F)c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
GLS O94925 1/20 0.36
PCK1 P35558 5/20 0.35
SIGMAR1 Q99720 1/20 0.34
CMA1 P23946 2/20 0.33
PAX8 Q06710 1/20 0.33
PSMD14 O00487 1/20 0.33
POLB P06746 1/20 0.33
DNMT1 P26358 1/20 0.33
APOBEC3A P31941 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL4614353 0.87 GLS (0.43) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL4616625 0.82 PCK1 (0.45) PCK1SIGMAR1GPR119
SCHEMBL3979338 0.81 PCK1 (0.47) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL4613334 0.70 PCK1 (0.48) GLSPCK1
SCHEMBL3983281 0.70 NLRP3 (0.46) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8392000 0.69 ALDH1A1 (0.45) KDM4EMEN1KMT2AMAPTPOLB
Hydrochloric Acid SCHEMBL3983266 0.66 PCK1 (0.54) KDM4EMEN1KMT2AMAPTPCK1
SCHEMBL4615986 0.65 L3MBTL1 (0.50) KDM4EMEN1KMT2AUSP2MAPT
SCHEMBL8394013 0.65 NLRP3 (0.46) POLBRORC
SCHEMBL4615159 0.65 PCK1 (0.54) MAPTPCK1SIGMAR1

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 5 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
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 KDM4E 2503/4885MEN1 3211/4885KMT2A 2608/4885

“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.