SCHEMBL3299451

SCHEMBL3299451

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2cccc(C#N)n2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.33
CTSS P25774 3/20 0.33
HSD11B1 P28845 1/20 0.33
BRPF1 P55201 2/20 0.31
BRD1 O95696 1/20 0.31
HTR6 P50406 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL3297466 0.89 HSD11B1 (0.34) HSD11B1HTR6DGAT1
SCHEMBL3304808 0.88 IRAK4 (0.34) BRPF1BRD1IRAK4
SCHEMBL3297421 0.85 LMNA (0.33) HSD11B1HTR6IRAK4DGAT1
SCHEMBL3300116 0.85 IRAK4 (0.37) BRPF1BRD1IRAK4DGAT1
SCHEMBL3298556 0.85 CDC7 (0.36) CCR9BRPF1BRD1IRAK4
SCHEMBL3300103 0.84 KMT2A (0.32) HSD11B1BRPF1BRD1HTR6
SCHEMBL3299456 0.83 BRD1 (0.30) HSD11B1BRPF1BRD1
SCHEMBL3298498 0.83
SCHEMBL3298307 0.82 HSD11B1 (0.32) HSD11B1HTR6DGAT1
SCHEMBL3303632 0.82 ROCK1 (0.34) HSD11B1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CCR9 4171/4885CTSS 3111/4885HSD11B1 581/4885

“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.