SCHEMBL3300116

SCHEMBL3300116

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2ccc(C#N)cn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.37
BRPF1 P55201 3/20 0.36
BRD1 O95696 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
CDC7 O00311 2/20 0.33
DGAT1 O75907 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL3298556 0.89 CDC7 (0.36) IRAK4BRPF1BRD1SIRT2CDC7
SCHEMBL3304808 0.89 IRAK4 (0.34) IRAK4BRPF1BRD1
SCHEMBL3294658 0.89 IRAK4 (0.33) IRAK4DGAT1
SCHEMBL3305318 0.88 IRAK4 (0.33) IRAK4DGAT1
SCHEMBL3300638 0.88 IRAK4 (0.33) IRAK4DGAT1
SCHEMBL3297341 0.87 IRAK4 (0.34) IRAK4DGAT1
SCHEMBL3301537 0.87 IRAK4 (0.32) IRAK4DGAT1
SCHEMBL3300981 0.85 IRAK4 (0.35) IRAK4DGAT1
SCHEMBL3300532 0.85 IRAK4 (0.32) IRAK4
SCHEMBL3299451 0.85 CCR9 (0.33) IRAK4BRPF1BRD1DGAT1

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 IRAK4 2516/4885BRPF1 3781/4885BRD1 4328/4885

“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.