SCHEMBL4613157

SCHEMBL4613157

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PCK1 P35558 6/20 0.42
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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 0.90 PCK1 (0.44) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4615652 0.89 PCK1 (0.43) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4615389 0.89 PCK1 (0.45) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4614679 0.88 PCK1 (0.44) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4614662 0.88 PCK1 (0.42) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4615312 0.87 PCK1 (0.44) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4615595 0.87 PCK1 (0.42) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4613809 0.87 PCK1 (0.41) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4614663 0.87 PCK1 (0.41) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL4614819 0.87 PCK1 (0.43) KMT2AALDH1A1KDM4EMEN1HTT

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
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
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 KMT2A 2608/4885ALDH1A1 277/4885KDM4E 2503/4885

“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.