SCHEMBL4615996

SCHEMBL4615996

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PCK1 P35558 6/20 0.41
ADORA2B P29275 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.37
LMNA P02545 2/20 0.36
ADORA2A P29274 2/20 0.36
KCNA5 P22460 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4614552 0.94 PCK1 (0.44) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4614662 0.93 PCK1 (0.42) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4614464 0.93 PCK1 (0.40) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4615595 0.92 PCK1 (0.42) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4612939 0.92 PCK1 (0.40) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4614787 0.92 PCK1 (0.41) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4614819 0.92 PCK1 (0.43) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4614679 0.92 PCK1 (0.44) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4613809 0.92 PCK1 (0.41) KDM4EALDH1A1PCK1ADORA2BKMT2A
SCHEMBL4614527 0.91 PCK1 (0.41) KDM4EALDH1A1PCK1ADORA2BKMT2A

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
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US claimed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US 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 KDM4E 2503/4885ALDH1A1 277/4885PCK1 36/4885

“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.