SCHEMBL3301103

SCHEMBL3301103

CC(C)(C)C(C(=O)O)N(c1ccc2c(c1)CCN2c1ccc(N2CCOCC2)nn1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 3/20 0.36
CNR2 P34972 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
CCR9 P51686 1/20 0.33
PIK3CD O00329 1/20 0.33
CYP3A4 P08684 1/20 0.33
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
RAB9A P51151 2/20 0.33
ACLY P53396 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDK1 Q15118 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
SCHEMBL3298149 0.90 GPR119 (0.31)
SCHEMBL10316823 0.82 KEAP1 (0.39) KDM4EHSD17B10LMNACNR2L3MBTL1
SCHEMBL3301412 0.81 KDM4E (0.36) KDM4EHSD17B10LMNACNR2L3MBTL1
SCHEMBL3299024 0.81 PTPN11 (0.32) LMNA
SCHEMBL3299210 0.81 ROCK1 (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL13390865 0.80 ALDH1A1 (0.35) KDM4EHSD17B10LMNAL3MBTL1PIK3CD
SCHEMBL3305694 0.80 GPR119 (0.34)
SCHEMBL3297267 0.79 MAPT (0.34) ACLYMAPT
SCHEMBL3299189 0.79 ROCK1 (0.30)
SCHEMBL13409315 0.77 LMNA (0.35) KDM4EHSD17B10LMNAL3MBTL1PIK3CD

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 KDM4E 620/4885HSD17B10 2472/4885LMNA 1244/4885

“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.