SCHEMBL4615402

SCHEMBL4615402

CCCCn1c(N)c(NC(=O)Cc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(Cc2ccccc2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 7/20 0.42
RORC P51449 1/20 0.39
KDM4E B2RXH2 8/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4614971 0.85 PCK1 (0.40) PCK1RORCKDM4EKMT2AMEN1
SCHEMBL3986976 0.84 PCK1 (0.55) PCK1KDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL3983266 0.83 PCK1 (0.54) PCK1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL4613426 0.82 PCK1 (0.63) PCK1RORCALDH1A1SMN1; SMN2TSHR
SCHEMBL3986974 0.82 PCK1 (0.47) PCK1RORCKDM4EKMT2AMEN1
SCHEMBL13844978 0.78 PCK1 (0.49) PCK1RORCKMT2AMEN1
SCHEMBL13844856 0.77 PCK1 (0.49) PCK1RORCKDM4EKMT2AMEN1
SCHEMBL4614485 0.77 PCK1 (0.69) PCK1
SCHEMBL4616635 0.73 PCK1 (0.57) PCK1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL4614571 0.71 PCK1 (0.52) PCK1RORCKDM4ETSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 36/4885RORC 733/4885KDM4E 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.