SCHEMBL19975223

SCHEMBL19975223

CS(=O)(=O)OCc1cnc(C2CCN(C(=O)O)CC2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.34
OGA O60502 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
CCR5 P51681 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 5/20 0.32
TP53 P04637 3/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MLYCD O95822 1/20 0.31
CHRM4 P08173 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL21273290 0.86 GPR119 (0.50) GPR119MAPT
SCHEMBL19975482 0.81 GPR119 (0.34) GPR119OGAHTTSMN1; SMN2LMNA
SCHEMBL21381142 0.80 HRH3 (0.38) OGAHTTSMN1; SMN2LMNAKMT2A
SCHEMBL19975384 0.79 MLYCD (0.38) OGAHTTSMN1; SMN2LMNAKMT2A
SCHEMBL12810893 0.79 CCR5 (0.36) OGAHTTSMN1; SMN2LMNAKMT2A
SCHEMBL12810894 0.79 ALDH1A1 (0.47) OGAHTTSMN1; SMN2LMNACCR5
SCHEMBL19984507 0.76
SCHEMBL1577774 0.74 TRPC6 (0.38) GPR119HTTSMN1; SMN2LMNAKMT2A
SCHEMBL1557136 0.74 GPR119 (0.38) GPR119SMN1; SMN2LMNAKMT2ANPC1
SCHEMBL19975036 0.73 CCR5 (0.33) OGAHTTSMN1; SMN2CCR5MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed