SCHEMBL1059008

SCHEMBL1059008

CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 4/20 0.67
ACLY P53396 8/20 0.51
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
LAP3 P28838 3/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 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
SCHEMBL5781096 0.96 SPPL2A (0.63) SPPL2AACLYPSEN1PSEN2APH1B
SCHEMBL1058746 0.87 SPPL2A (0.81) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1056509 0.83 SPPL2A (0.75) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1054108 0.83 SPPL2A (0.66) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL5778426 0.83 SPPL2A (0.75) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1057302 0.83 SPPL2A (0.66) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL5780154 0.83 SPPL2A (0.75) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1812001 0.80 SPPL2A (0.83) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL5491023 0.80 SPPL2A (0.64) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4373559 0.79 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 EP disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed
EP-2216334-A1 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-08-11 EP disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 EP disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SPPL2A 1106/4885ACLY 1925/4885PSEN1 417/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP SPPL2A 1106/4885ACLY 1925/4885PSEN1 417/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SPPL2A 1106/4885ACLY 1925/4885PSEN1 417/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.