SCHEMBL4353583

SCHEMBL4353583

NCCS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.37
ADAMTS7 Q9UKP4 3/20 0.36
ADAMTS5 Q9UNA0 3/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP1 P03956 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL4356468 0.92 PTPN2 (0.40) PTPN2PTPN1CA12CA1CA2
SCHEMBL4349922 0.87 PTPN2 (0.43) PTPN2PTPN1CA12CA1CA2
SCHEMBL4537918 0.87 PTPN2 (0.43) PTPN2PTPN1CA12CA1CA2
SCHEMBL4356473 0.87 PTPN2 (0.43) PTPN2PTPN1CA12CA1CA2
SCHEMBL4520212 0.84 PTPN2 (0.47) PTPN2PTPN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4355595 0.82 POLB (0.54) PTPN2PTPN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4360055 0.82 ALDH1A1 (0.40) PTPN2PTPN1SMN1; SMN2LMNAHTT
SCHEMBL4357579 0.81 PTPN2 (0.44) PTPN2PTPN1SMN1; SMN2LMNAALDH1A1
SCHEMBL13586029 0.81 PTPN2 (0.44) PTPN2PTPN1SMN1; SMN2LMNAALDH1A1
SCHEMBL13586060 0.80 SMN1; SMN2 (0.47) PTPN2PTPN1SMN1; SMN2LMNAALDH1A1

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed