SCHEMBL4614713

SCHEMBL4614713

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4ccc(OC)c(OC)c4)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
PCK1 P35558 2/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
OGT O15294 1/20 0.36
ADORA2B P29275 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6276453 1.00 MEN1 (0.42) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4615436 0.91 KDM4E (0.41) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4614663 0.91 PCK1 (0.41) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4614552 0.90 PCK1 (0.44) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4614662 0.90 PCK1 (0.42) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4613252 0.90 KMT2A (0.41) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4614146 0.90 LMNA (0.43) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4614339 0.89 PCK1 (0.42) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4613347 0.89 PCK1 (0.42) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL4615595 0.89 PCK1 (0.42) MEN1KMT2ALMNAALDH1A1KDM4E

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 MEN1 3211/4885KMT2A 2608/4885LMNA 4064/4885

“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.