SCHEMBL3469433

SCHEMBL3469433

Cc1cc(S(=O)(=O)N(CC(C)C)C[C@@H](OO)[C@@H](N)Cc2ccccc2)c(Cl)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.52
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
RORC P51449 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
F2 P00734 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL1054108 0.89 SPPL2A (0.66) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1057302 0.77 SPPL2A (0.66) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL3469437 0.77 SPPL2A (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1059008 0.72 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1058776 0.71 SPPL2A (0.73) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL5780154 0.71 SPPL2A (0.75) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL6449470 0.71 SPPL2A (0.58) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1056509 0.71 SPPL2A (0.75) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1059437 0.71 SPPL2A (0.58) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1058746 0.70 SPPL2A (0.81) SPPL2APSEN1PSEN2APH1BNCSTN

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-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed