SCHEMBL5401504

SCHEMBL5401504

CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)N(C)c1ccccc1)C(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.47
PSEN2 P49810 11/20 0.47
APH1B Q8WW43 11/20 0.47
NCSTN Q92542 11/20 0.47
APH1A Q96BI3 11/20 0.47
PSENEN Q9NZ42 11/20 0.47
REN P00797 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
BACE1 P56817 3/20 0.40
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
CACNA1F O60840 1/20 0.39
ABCB11 O95342 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5401860 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6224253 0.94 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840102 0.94 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840094 0.92 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6224660 0.92 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6251415 0.92 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840214 0.92 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6226592 0.91 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840191 0.91 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8840099 0.90 PSEN1 (0.42) 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
US-7226932-B2 Self-emulsifying drug delivery system G.D. SEARLE LLC (US) 2007-06-05 US disclosed
EP-0813867-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
US-20040048934-A1 Self-emulsifying drug delivery system G.D. SEARLE & CO. 2004-03-11 US disclosed
EP-0815856-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-01-07 EP disclosed
EP-0813868-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
EP-0813867-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1997-12-29 EP disclosed
US-5614522-A SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS G.D. SEARLE & CO. (US) 1997-03-25 US disclosed
US-5610190-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-03-11 US disclosed
US-5602175-A HYDROXYETHYLAMINE COMPOUNDS; USEFUL IN TREATMENT OF INFECTIONS CAUSED BY THE HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-02-11 US disclosed
EP-0735019-A2 Retroviral protease inhibitors MONSANTO COMPANY (US) 1996-10-02 EP disclosed
US-5475027-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1995-12-12 US disclosed
WO-1993023368-A1 UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 WO disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 (1 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-20040048934-A1 Self-emulsifying drug delivery system LIPA, CEL, LSS PSEN1 811/4885PSEN2 526/4885APH1B 2858/4885

“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.