SCHEMBL3300533

SCHEMBL3300533

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2ccc(NC3CC3)nn2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.31
CSNK2A1 P68400 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
HPGDS O60760 1/20 0.30
IL1B P01584 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL3296894 0.95 IRAK4 (0.33) IRAK4
SCHEMBL3365008 0.92 MAOB (0.34) IRAK4
SCHEMBL3303863 0.91 IRAK4 (0.30) IRAK4
SCHEMBL3302430 0.87
SCHEMBL3297340 0.87 TNF (0.30) IL1BNLRP3
SCHEMBL3300118 0.86 DGAT1 (0.32)
SCHEMBL3299852 0.85
SCHEMBL3305105 0.85 IRAK4 (0.30) IRAK4
SCHEMBL3298484 0.85
SCHEMBL3294560 0.84 HTR6 (0.32) IRAK4

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 GSK3B 16/4885CSNK2A1 91/4885IRAK4 2516/4885

“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.