SCHEMBL4616012

SCHEMBL4616012

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
ADORA2B P29275 3/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 2/20 0.35
PDE3A Q14432 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
SCHEMBL6358894 1.00 PCK1 (0.44) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4613347 0.95 PCK1 (0.42) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4614339 0.95 PCK1 (0.42) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4614663 0.93 PCK1 (0.41) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4614819 0.91 PCK1 (0.43) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4616619 0.91 PCK1 (0.44) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4615031 0.91 PCK1 (0.44) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4614650 0.91 PCK1 (0.42) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4614033 0.90 PCK1 (0.43) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL4615595 0.90 PCK1 (0.42) PCK1SMN1; SMN2KDM4EMEN1ALDH1A1

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 PCK1 36/4885SMN1; SMN2 1670/4885KDM4E 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.