SCHEMBL4616635

SCHEMBL4616635

CCCCn1c(N)c(NC(=O)Cc2ccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)cn2)c(=O)n(Cc2ccccc2F)c1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 12/20 0.57
SGK1 O00141 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
DNMT1 P26358 1/20 0.33
APOBEC3A P31941 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ACLY P53396 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4616391 0.89 PCK1 (0.56) PCK1SGK1KMT2A
SCHEMBL4614201 0.86 PCK1 (0.48) PCK1SGK1ALDH1A1POLBKDM4E
SCHEMBL4613426 0.76 PCK1 (0.63) PCK1ALDH1A1SMN1; SMN2
SCHEMBL4615492 0.73 PCK1 (0.54) PCK1KMT2A
SCHEMBL3986976 0.73 PCK1 (0.55) PCK1ALDH1A1POLBKDM4EMEN1
SCHEMBL4615402 0.73 PCK1 (0.42) PCK1ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL3983266 0.72 PCK1 (0.54) PCK1ALDH1A1POLBKDM4EMEN1
SCHEMBL4615496 0.72 PCK1 (0.52) PCK1KMT2A
SCHEMBL13844978 0.72 PCK1 (0.49) PCK1MEN1KMT2ATHRB
SCHEMBL3986974 0.71 PCK1 (0.47) PCK1ALDH1A1POLBKDM4EMEN1

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 36/4885SGK1 461/4885ALDH1A1 277/4885

“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.