SCHEMBL1054059

SCHEMBL1054059

CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 3/20 0.73
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
MLNR O43193 1/20 0.49
ABCB11 O95342 1/20 0.49
LMNA P02545 1/20 0.49
CTSD P07339 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP3A5 P20815 1/20 0.49
CNR1 P21554 1/20 0.49
TBXAS1 P24557 1/20 0.49
ADRA1A P35348 1/20 0.49
RORC P51449 4/20 0.49
TAS2R14 Q9NYV8 1/20 0.49
ADAMTS4 O75173 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL13537769 0.94 SPPL2A (0.64) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28610516 0.93 SPPL2A (0.64) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL28610517 0.93 SPPL2A (0.64) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4911140 0.93 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL4373559 0.93 SPPL2A (0.76) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL23129692 0.92 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL608142 0.92 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL1051190 0.92 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL9605440 0.92 SPPL2A (0.74) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL10031792 0.92 SPPL2A (0.74) 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 32 patents — showing the first 20. 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
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
EP-1709037-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2006-10-11 EP disclosed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 US disclosed
US-7091219-B2 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-15 US disclosed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 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
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-04-01 US disclosed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO 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 (5 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-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP SPPL2A 636/4885PSEN1 208/4885PSEN2 445/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP SPPL2A 659/4885PSEN1 164/4885PSEN2 430/4885
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.