SCHEMBL3697140

SCHEMBL3697140

CC(C)(C)CN(Cc1cc(S(=O)(=O)c2ccccc2)n(-c2cccc(F)c2F)n1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.34
SLC16A1 P53985 5/20 0.34
ABCC9 O60706 3/20 0.34
ABCC8 Q09428 3/20 0.34
KCNJ11 Q14654 3/20 0.34
KCNJ8 Q15842 3/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HTR6 P50406 1/20 0.32
PTGER2 P43116 2/20 0.31
MAPT P10636 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NTRK1 P04629 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
SCHEMBL3695804 0.91 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8PTGER2
SCHEMBL3700005 0.88 ALDH1A1 (0.35) SLC16A3SLC16A1KMT2ALMNAMAPT
SCHEMBL3699028 0.87 PTGDR2 (0.34) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL3700744 0.87 PTGDR2 (0.33) SLC16A3SLC16A1ABCC9ABCC8KCNJ11
SCHEMBL3808574 0.86 ABCC9 (0.35) SLC16A3SLC16A1ABCC9ABCC8KCNJ11
SCHEMBL4127061 0.85 SLC16A3 (0.34) SLC16A3SLC16A1KMT2ALMNAHTR6
SCHEMBL3699813 0.84 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8PTGER2
SCHEMBL3700610 0.83 SLC16A3 (0.33) SLC16A3SLC16A1ABCC9ABCC8KCNJ11
SCHEMBL4566348 0.83 PTGER2 (0.33) ABCC9ABCC8KCNJ11KCNJ8PTGER2
SCHEMBL3698589 0.83 ALDH1A1 (0.38) SLC16A3SLC16A1ABCC9ABCC8KCNJ11

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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed