SCHEMBL13409504

SCHEMBL13409504

CC(C)(C)OC(=O)CN(c1ccc2c(ccn2-c2ccc(N3CCCC(NC(=O)OC(C)(C)C)C3)nn2)c1)S(=O)(=O)C1C=C(Cl)C=C(Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
MAP4K4 O95819 2/20 0.39
AURKA O14965 3/20 0.37
PDPK1 O15530 3/20 0.37
AURKB Q96GD4 3/20 0.37
SUV39H2 Q9H5I1 9/20 0.36
PDE10A Q9Y233 1/20 0.35
SYK P43405 1/20 0.35
RET P07949 3/20 0.35

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
SCHEMBL13390678 0.85 BTK (0.42) JAK3BTKMAP4K4AURKAPDPK1
SCHEMBL13409134 0.85 GPR119 (0.36) MAP4K4SUV39H2PDE10A
SCHEMBL13409175 0.84
SCHEMBL13409137 0.84 MAPK8 (0.30)
SCHEMBL13409147 0.84
SCHEMBL13408588 0.84
SCHEMBL13409157 0.83 GPR119 (0.30)
SCHEMBL13409503 0.83 DGAT1 (0.31)
SCHEMBL13409149 0.82
SCHEMBL13409263 0.82 DGAT1 (0.30)

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 JAK3 2274/4885BTK 360/4885MAP4K4 1625/4885

“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.