SCHEMBL1058448

SCHEMBL1058448

CNc1cc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H](N)Cc2ccccc2)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 4/20 0.69
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CTSD P07339 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 1/20 0.44
CNR1 P21554 1/20 0.44
TBXAS1 P24557 1/20 0.44
ADRA1A P35348 1/20 0.44
ABCB1 P08183 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL1057249 0.91 SPPL2A (0.65) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL6449637 0.90 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1056779 0.90 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL14338808 0.89 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1056483 0.88 SPPL2A (0.64) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1058776 0.87 SPPL2A (0.73) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1055917 0.87 SPPL2A (0.73) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1058175 0.86 SPPL2A (0.61) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1054255 0.86 SPPL2A (0.61) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1057686 0.86 SPPL2A (0.61) 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 12 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
EP-1709037-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2006-10-11 EP disclosed
WO-2005061450-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2005-07-07 WO 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 1106/4885PSEN1 417/4885PSEN2 654/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP SPPL2A 1106/4885PSEN1 417/4885PSEN2 654/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SPPL2A 1106/4885PSEN1 417/4885PSEN2 654/4885

“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.