SCHEMBL4615027

SCHEMBL4615027

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
ADORA2B P29275 2/20 0.39
PCK1 P35558 2/20 0.39
PGR P06401 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSPD1 P10809 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN5 P54829 1/20 0.34
HSPE1 P61604 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
SCHEMBL4613028 0.93 KMT2A (0.41) ADORA2BPCK1KMT2AALDH1A1MAPT
SCHEMBL4614552 0.91 PCK1 (0.44) ADORA2BPCK1KMT2AALDH1A1MEN1
SCHEMBL4613834 0.90 PCK1 (0.42) ADORA2BPCK1KMT2AALDH1A1MAPT
SCHEMBL4614663 0.90 PCK1 (0.41) ADORA2BPCK1KMT2AALDH1A1MEN1
SCHEMBL4614373 0.90 PCK1 (0.40) ADORA2BPCK1KMT2AALDH1A1MAPT
SCHEMBL4614650 0.89 PCK1 (0.42) ADORA2BPCK1PGRKMT2AALDH1A1
SCHEMBL4614662 0.88 PCK1 (0.42) ADORA2BPCK1KMT2AALDH1A1MEN1
SCHEMBL4614464 0.88 PCK1 (0.40) ARADORA2BPCK1PGRKMT2A
SCHEMBL4613347 0.88 PCK1 (0.42) ADORA2BPCK1PGRKMT2AALDH1A1
SCHEMBL4614339 0.88 PCK1 (0.42) ADORA2BPCK1PGRKMT2AALDH1A1

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 AR 2065/4885ADORA2B 1069/4885PCK1 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.