SCHEMBL1058375

SCHEMBL1058375

CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.58
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
F2 P00734 2/20 0.39
MLNR O43193 1/20 0.39
ABCB11 O95342 1/20 0.39
CTSD P07339 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
CNR1 P21554 1/20 0.39
TBXAS1 P24557 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNA5 P22460 2/20 0.37

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
SCHEMBL2909159 0.88 SPPL2A (0.51) SPPL2ALMNAMLNRABCB11CTSD
SCHEMBL2909156 0.88 SPPL2A (0.51) SPPL2ALMNAMLNRABCB11CTSD
SCHEMBL1053190 0.86 SPPL2A (0.41) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL6449637 0.85 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1056779 0.85 SPPL2A (0.67) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1057249 0.84 SPPL2A (0.65) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1058448 0.84 SPPL2A (0.69) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1058087 0.83 SPPL2A (0.56) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL14338808 0.81 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1056483 0.80 SPPL2A (0.64) 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.