SCHEMBL4613638

SCHEMBL4613638

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 7/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
SLC16A3 O15427 1/20 0.35
IDH1 O75874 1/20 0.35
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
YES1 P07947 1/20 0.34
SRC P12931 1/20 0.34
EPHB4 P54760 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
SCHEMBL4613009 0.94 PCK1 (0.42) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4615383 0.93 PCK1 (0.42) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4615312 0.93 PCK1 (0.44) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4614686 0.91 PCK1 (0.42) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4614373 0.91 PCK1 (0.40) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4615652 0.91 PCK1 (0.43) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4615031 0.91 PCK1 (0.44) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4615154 0.90 PCK1 (0.46) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4614662 0.89 PCK1 (0.42) PCK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4616619 0.89 PCK1 (0.44) PCK1MEN1KMT2AKDM4EALDH1A1

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 PCK1 36/4885MEN1 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.