SCHEMBL3301386

SCHEMBL3301386

CC(C)(C)C(C(=O)O)N(c1ccc2c(ccn2-c2ccncc2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
ROCK2 O75116 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
CYP19A1 P11511 1/20 0.31
NAMPT P43490 1/20 0.30
NR3C1 P04150 1/20 0.30
HSD11B1 P28845 1/20 0.30
SLC6A2 P23975 1/20 0.30
PLA2G4A P47712 1/20 0.30
HTR6 P50406 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
SCHEMBL3305126 0.90 DGAT1 (0.37) DGAT1ROCK2PIM1PIM3
SCHEMBL3298307 0.88 HSD11B1 (0.32) DGAT1HSD11B1HTR6
SCHEMBL3305263 0.86 MAPT (0.32) DGAT1
SCHEMBL3298942 0.86 DGAT1 (0.33) DGAT1
SCHEMBL3366649 0.86 ITGA4 (0.35) ROCK2PIM1PIM3HSD11B1PLA2G4A
SCHEMBL3302802 0.85 ACLY (0.40) DGAT1HTR6
SCHEMBL3297421 0.85 LMNA (0.33) DGAT1HSD11B1HTR6
SCHEMBL3298668 0.85 NR3C1 (0.34) DGAT1NR3C1
SCHEMBL3299721 0.85 DGAT1 (0.33) DGAT1ROCK2PIM1PIM3
SCHEMBL3298987 0.84 ROCK2 (0.50) ROCK2PIM1PIM3HSD11B1PLA2G4A

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 DGAT1 3856/4885ROCK2 1978/4885PIM1 600/4885

“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.