SCHEMBL3300480

SCHEMBL3300480

CC(C)(C)C(C(=O)O)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.35
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
AHR P35869 1/20 0.35
NR4A2 P43354 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HSD11B1 P28845 2/20 0.34
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL3299972 0.94 PTGS2 (0.34) PTGS2NPC1F7LTA4HF3
SCHEMBL3294496 0.93 PTGS2 (0.34) PTGS2NPC1F7LTA4HF3
SCHEMBL3303002 0.92 PTGS2 (0.37) PTGS2NPC1F7LTA4HF3
SCHEMBL3295671 0.88 PTGS2 (0.37) PTGS2NPC1PER2CRY1CRY2
SCHEMBL3298880 0.88 PTGS2 (0.37) PTGS2NPC1PER2CRY1CRY2
SCHEMBL3304821 0.88 PTGS2 (0.37) PTGS2AHRNR4A2PER2CRY1
SCHEMBL3305698 0.84 PTGS2 (0.38) PTGS2NPC1F7F3HSD11B1
SCHEMBL3298174 0.84 ACLY (0.33) PTGS2NR4A2HSD11B1ACLY
SCHEMBL3305106 0.84 PTGS2 (0.34) PTGS2AHRNR4A2PER2CRY1
SCHEMBL3297291 0.84 ALDH1A1 (0.31) HSD11B1ACLY

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 PTGS2 3933/4885NPC1 4096/4885F7 4176/4885

“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.