SCHEMBL11889042

SCHEMBL11889042

CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(O)(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
TSHR P16473 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
CCR1 P32246 2/20 0.41
MEN1 O00255 2/20 0.40
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11888911 0.86 HDAC3 (0.50) CYP2D6TSHRCYP2C19CYP3A4CYP2C9
SCHEMBL11889004 0.84 CYP2D6 (0.48) CYP2D6TSHRCYP2C19CYP3A4CYP2C9
SCHEMBL11888958 0.84 FAAH (0.53) CYP2D6KMT2ACCR1MAPK1
SCHEMBL11889043 0.83 PKM (0.52) CYP2D6KMT2AMEN1POLBALDH1A1
SCHEMBL11888873 0.82 PKM (0.54) CYP2D6TSHRCYP2C19CYP3A4CYP2C9
SCHEMBL11889003 0.80 KMT2A (0.67) CYP2D6KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2700042 0.79 KMT2A (0.54) CYP2D6TSHRCYP2C19CYP3A4CYP2C9
SCHEMBL1146218 0.77 HSD11B1 (0.44) KMT2AMEN1HSD11B1CNR2
SCHEMBL11888955 0.75 ALDH1A1 (0.58) SMN1; SMN2RAB9APOLBALDH1A1L3MBTL1
SCHEMBL2700044 0.74 MAOA (0.49) TSHRCYP2C19CYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471265-B Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2014-09-03 CN claimed
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 EP claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US claimed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
CN-102471265-A Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2012-05-23 CN claimed
CN-102471265-B Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2014-09-03 CN disclosed
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102471265-A Piperidine derivatives and their use for the treatment of obesity, diabetes, dyslipidemia and atherosclerosis HOFFMANN LA ROCHE 2012-05-23 CN disclosed