SCHEMBL4616619

SCHEMBL4616619

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4cc(C)c(Cl)cc4Cl)cc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 9/20 0.44
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
IDH1 O75874 1/20 0.33
HPGD P15428 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
SCHEMBL4615031 0.96 PCK1 (0.44) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4613326 0.91 PCK1 (0.42) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4614686 0.91 PCK1 (0.42) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4613039 0.91 PCK1 (0.42) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4613778 0.91 PCK1 (0.43) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4616012 0.91 PCK1 (0.44) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL6358894 0.91 PCK1 (0.44) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4615312 0.90 PCK1 (0.44) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4615479 0.90 PCK1 (0.43) PCK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4615652 0.90 PCK1 (0.43) PCK1KDM4EALDH1A1MEN1KMT2A

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 3 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
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 36/4885KDM4E 2503/4885ALDH1A1 277/4885

“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.