SCHEMBL469826

SCHEMBL469826

CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.47
LTA4H P09960 2/20 0.47
SPPL2A Q8TCT8 2/20 0.47
ABCB1 P08183 1/20 0.46
ANPEP P15144 1/20 0.45
RNPEP Q9H4A4 1/20 0.45
DNPEP Q9ULA0 1/20 0.45
CTSB P07858 2/20 0.43
REN P00797 1/20 0.41
CSNK1E P49674 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL27724013 1.00 LAP3 (0.47) LAP3LTA4HSPPL2AABCB1ANPEP
Hydrochloric Acid SCHEMBL3092868 0.99 LAP3 (0.46) LAP3LTA4HSPPL2AABCB1ANPEP
SCHEMBL13538055 0.92 LTA4H (0.60) LAP3LTA4HREN
SCHEMBL13541104 0.89 REN (0.54) LAP3LTA4HRENCSNK1E
SCHEMBL13307522 0.88 CTSB (0.51) LAP3LTA4HSPPL2AABCB1ANPEP
SCHEMBL3614651 0.84 SPPL2A (0.52) LAP3SPPL2AANPEPRNPEPDNPEP
SCHEMBL7337419 0.84 PSEN1 (0.46) LAP3SPPL2AANPEPRNPEPDNPEP
SCHEMBL5567381 0.84 PSEN1 (0.46) LAP3SPPL2AANPEPRNPEPDNPEP
SCHEMBL13800207 0.82 SPPL2A (0.41) LAP3LTA4HSPPL2AANPEPRNPEP
SCHEMBL27942343 0.82 CTSB (0.52) SPPL2AABCB1CTSB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127029-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2015-09-08 US disclosed
US-9127029-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2015-09-08 US disclosed
EP-1960404-B1 SUBSTITUTED AMINOPHENYLSULFONAMIDE COMPOUNDS AS HIV PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 EP disclosed
EP-1960381-B1 AMINOPHENYLSULFONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITOR JANSSEN SCIENCES IRELAND UC (IE) 2015-06-17 EP disclosed
US-8877947-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2014-11-04 US disclosed
US-8877947-B2 Process for preparation of substantially pure fosamprenavir calcium and its intermediates LUPIN LIMITED (IN) 2014-11-04 US disclosed
US-20140256959-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2014-09-11 US disclosed
US-20140256959-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2014-09-11 US disclosed
US-20130174651-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130174651-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2013-07-11 US disclosed
WO-2012032389-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2012-03-15 WO disclosed
US-8084494-B2 benzenesulfon-yl]-isobutyl-amino}-1-benzyl-2-hydroxy-propyl)-carbamic Acid hexahydro-furo[2,3-b]furan-3-yl Ester; anti-retroviral agent such as dextran sulfate, suramine etc. AIDS TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-12-27 US disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 US disclosed
US-20080269322-A1 Substituted Aminophenylsulfonamide Compounds as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-10-30 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 (4 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-20140256959-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES PLCB3, ITPR3, ITPR2 LAP3 756/4885LTA4H 4053/4885SPPL2A 1150/4885
US-20080269322-A1 Substituted Aminophenylsulfonamide Compounds as Hiv Protease Inhibitor DNPEP, ANPEP, NPEPPS LAP3 48/4885LTA4H 841/4885SPPL2A 676/4885
US-20130174651-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES PLCB3, ITPR3, ITPR2 LAP3 756/4885LTA4H 4053/4885SPPL2A 1150/4885
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor DNPEP, NPEPPS, ANPEP LAP3 64/4885LTA4H 1385/4885SPPL2A 838/4885

“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.