SCHEMBL5404893

SCHEMBL5404893

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.47
ANPEP P15144 2/20 0.47
RNPEP Q9H4A4 2/20 0.47
DNPEP Q9ULA0 2/20 0.47
SPPL2A Q8TCT8 1/20 0.46
MME P08473 3/20 0.45
ACE P12821 3/20 0.45
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
CSNK1E P49674 1/20 0.40
ENPEP Q07075 1/20 0.40
CTSB P07858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
FPR1 P21462 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC15A1 P46059 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
SCHEMBL8159887 1.00 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSPPL2A
Hydrochloric Acid SCHEMBL5871977 0.99 LAP3 (0.46) LAP3ANPEPRNPEPDNPEPSPPL2A
Hydrochloric Acid SCHEMBL7322995 0.99 LAP3 (0.46) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL5872214 0.91 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL6225204 0.91 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL3614651 0.83 SPPL2A (0.52) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL5405883 0.83 MME (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5872287 0.83 PSEN1 (0.44) MMEACEPSEN1PSEN2APH1B
SCHEMBL8762274 0.83 MME (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5872022 0.83 MME (0.43) MMEACEPSEN1PSEN2APH1B

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 29 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
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
US-20040048934-A1 Self-emulsifying drug delivery system G.D. SEARLE & CO. 2004-03-11 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
WO-1999059994-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1999-11-25 WO 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-0769936-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1997-05-02 EP 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-1996003113-A1 SELF-EMULSIFYING DRUG DELIVERY SYSTEM G.D. SEARLE & CO. (US) 1996-02-08 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 LAP3 148/4885ANPEP 9/4885RNPEP 4/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME LAP3 193/4885ANPEP 9/4885RNPEP 5/4885
US-20040048934-A1 Self-emulsifying drug delivery system LIPA, CEL, LSS LAP3 3079/4885ANPEP 3293/4885RNPEP 2322/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME LAP3 170/4885ANPEP 10/4885RNPEP 5/4885

“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.