SCHEMBL5872287

SCHEMBL5872287

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NCc1ccccc1)C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.44
PSEN2 P49810 11/20 0.44
APH1B Q8WW43 11/20 0.44
NCSTN Q92542 11/20 0.44
APH1A Q96BI3 11/20 0.44
PSENEN Q9NZ42 11/20 0.44
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
PSMB5 P28074 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 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
SCHEMBL5872112 0.83 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8159887 0.83 LAP3 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5404893 0.83 LAP3 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL7322995 0.82 LAP3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL5871977 0.82 LAP3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5405883 0.80 MME (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8762274 0.80 MME (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5872022 0.80 MME (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8899535 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9127180 0.79 BACE1 (0.46) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates G.D. SEARLE & CO. (US) 2006-11-30 US disclosed
US-7060851-B2 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2006-06-13 US disclosed
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. (US) 2005-06-16 US disclosed
US-6849760-B2 Method of preparing retroviral protease inhibitor intermediates G. D. SEARLE & CO. (US) 2005-02-01 US disclosed
EP-0970066-B1 Preparation of aminoepoxides from aminoaldehydes and an in situ formed halomethyl organometallic reagent SEARLE & CO (US) 2003-09-17 EP disclosed
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates G.D. SEARLE & CO. 2003-09-11 US disclosed
US-6515162-B2 Precipitating or crystallizing a salt from solution; suitable as intermediates for large scale production of enzyme inhibitors, e.g. hydroxyethylamine, hydroxyethylurea and hydroxyethylsulfonamide G.D. SEARLE & CO. 2003-02-04 US disclosed
EP-0855388-B1 Method for making intermediates useful in synthesis of retroviral protease inhibitors SEARLE & CO (US) 2002-03-06 EP disclosed
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates NG JOHN S (US) 2001-11-29 US disclosed
EP-0804410-B1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES SEARLE & CO (US) 2001-08-29 EP disclosed
US-6201150-B1 DIASTEREOMER PURIFICATION METHOD COMPRISING PREPARING AN ORGANIC ACID OR INORGANIC ACID SALT OF AN AMINO COMPOUND AND PRECIPITATING OR CRYSTALLIZING SAID SALT FROM A SOLUTION G.D. SEARLE & CO. 2001-03-13 US disclosed
US-6127556-A Epoxide formation by continuous in-situ synthesis process G. D. SEARLE & CO. (US) 2000-10-03 US disclosed
EP-0970066-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 2000-01-12 EP disclosed
EP-0855388-A2 Method for making intermediates useful in synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-07-29 EP disclosed
WO-1998029401-A1 AMINOEPOXIDES FROM AMINOALDEHYDES AND IN-SITU FORMED HALOMETHYL ORGANOMETALLIC REAGENT G.D. SEARLE & CO. (US) 1998-07-09 WO disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
US-5648511-A Method for making intermediates useful in the synthesis of retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-07-15 US disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 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-20060270855-A1 Methods of preparing retroviral proteases inhibitor intermediates ACE, REN, MME PSEN1 866/4885PSEN2 1286/4885APH1B 1018/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PSEN1 799/4885PSEN2 1193/4885APH1B 1130/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PSEN1 799/4885PSEN2 1193/4885APH1B 1130/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME PSEN1 766/4885PSEN2 1210/4885APH1B 1164/4885

“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.