SCHEMBL692255

SCHEMBL692255

CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.63
PSEN2 P49810 12/20 0.63
APH1B Q8WW43 12/20 0.63
NCSTN Q92542 12/20 0.63
APH1A Q96BI3 12/20 0.63
PSENEN Q9NZ42 12/20 0.63
KLK5 Q9Y337 2/20 0.56
CTSB P07858 1/20 0.52
APP P05067 1/20 0.51
SPPL2A Q8TCT8 1/20 0.51

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
SCHEMBL8231340 1.00 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24066657 0.94 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13538057 0.94 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12156606 0.92 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13307521 0.91 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27942343 0.87 CTSB (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL893290 0.87 CYP3A4 (0.62)
SCHEMBL30172847 0.86 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24066648 0.86 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13800208 0.85 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2422781-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
EP-2422780-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP 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-7807845-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-7803836-B2 Aminophenylsulfonamide derivatives as HIV protease inhibitor TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-09-28 US disclosed
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS (US) 2010-03-04 US disclosed
EP-1750696-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-07-15 EP disclosed
EP-1732891-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-05-06 EP disclosed
US-7378441-B2 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
WO-2007060253-A1 SUBSTITUTED AMINOPHENYLSULFONAMIDE COMPOUNDS AS HIV PROTEASE INHIBITOR TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-05-31 WO disclosed
WO-2005087728-A9 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2007-04-26 WO disclosed
EP-1750696-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2007-02-14 EP disclosed
EP-1732891-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2006-12-20 EP disclosed
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2006-11-16 US disclosed
US-20050267074-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2005-12-01 US disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
US-20050209301-A1 Resistance-repellent retroviral protease inhibitors SEQUOIA PHARMACEUTICALS (US) 2005-09-22 US disclosed
WO-2005087728-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-09-22 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 (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-20050267074-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME PSEN1 377/4885PSEN2 597/4885APH1B 138/4885
US-20060258627-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME PSEN1 377/4885PSEN2 597/4885APH1B 138/4885
US-20100056596-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SERPINB1, MMP7, MME PSEN1 377/4885PSEN2 597/4885APH1B 138/4885
US-20050209301-A1 Resistance-repellent retroviral protease inhibitors SERPINB1, MMP7, MME PSEN1 377/4885PSEN2 597/4885APH1B 138/4885

“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.