SCHEMBL3346038

SCHEMBL3346038

CC(C)S(=O)(=O)N(C)c1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.35
BACE1 P56817 7/20 0.35
TPMT P51580 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
EGLN1 Q9GZT9 1/20 0.31
ACLY P53396 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 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
SCHEMBL2021183 0.84 TTR (0.38) TTRBACE1TPMTALOX15TSHR
SCHEMBL2814523 0.82 TTR (0.39) TTRTPMTALOX15TSHRHIF1A
SCHEMBL3469217 0.82 CA12 (0.34) BACE1KMT2A
SCHEMBL898570 0.78 TTR (0.44) TTRTPMTALOX15TSHRHIF1A
SCHEMBL7875993 0.78 HCAR3 (0.43) BACE1
SCHEMBL3478647 0.78 HCAR3 (0.43) BACE1
Hydrochloric Acid SCHEMBL899209 0.77 TTR (0.42) TTRTPMTALOX15TSHRHIF1A
SCHEMBL7946697 0.77 BACE1 (0.34) BACE1
SCHEMBL3350177 0.75 KDM4C (0.44) EGLN1ALDH1A1KDM4E
SCHEMBL7880963 0.75 BACE1 (0.42) BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed
WO-2010042030-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-15 WO disclosed