SCHEMBL3469437

SCHEMBL3469437

Cc1cc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](N)C(O)c2ccccc2)c(Cl)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 10/20 0.52
PSEN1 P49768 6/20 0.52
PSEN2 P49810 6/20 0.52
APH1B Q8WW43 6/20 0.52
NCSTN Q92542 6/20 0.52
APH1A Q96BI3 6/20 0.52
PSENEN Q9NZ42 6/20 0.52
TAS2R14 Q9NYV8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 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 0.84 SPPL2A (0.66) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL3469433 0.77 SPPL2A (0.52) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1057302 0.72 SPPL2A (0.66) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1058776 0.67 SPPL2A (0.73) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL5780154 0.67 SPPL2A (0.75) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1059437 0.67 SPPL2A (0.58) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1056509 0.67 SPPL2A (0.75) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL5781096 0.65 SPPL2A (0.63) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1057407 0.62 SPPL2A (0.85) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL14338808 0.62 SPPL2A (0.76) 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