SCHEMBL5872214

SCHEMBL5872214

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.48
ANPEP P15144 2/20 0.48
RNPEP Q9H4A4 2/20 0.48
DNPEP Q9ULA0 2/20 0.48
SPPL2A Q8TCT8 1/20 0.42
CSNK1E P49674 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
CTSB P07858 1/20 0.39
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
SLC15A1 P46059 1/20 0.37
ENPEP Q07075 1/20 0.37
MMP2 P08253 3/20 0.36
GPR88 Q9GZN0 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL6225204 1.00 LAP3 (0.48) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL5404893 0.91 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL8159887 0.91 LAP3 (0.47) LAP3ANPEPRNPEPDNPEPSPPL2A
Hydrochloric Acid SCHEMBL5871977 0.90 LAP3 (0.46) LAP3ANPEPRNPEPDNPEPSPPL2A
Hydrochloric Acid SCHEMBL7322995 0.90 LAP3 (0.46) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL7319349 0.86 LAP3 (0.42) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL6427941 0.85 LAP3 (0.52) LAP3ANPEPRNPEPDNPEPSPPL2A
SCHEMBL5871974 0.84 PSEN1 (0.41) LAP3ANPEPRNPEPDNPEPPSEN1
SCHEMBL5871880 0.84 PSEN1 (0.41) LAP3ANPEPRNPEPDNPEPPSEN1
SCHEMBL8568989 0.83 PSEN1 (0.47) 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors G.D. Searle & Co. (now G.D. Searle, LLC) (US) 2007-01-18 US disclosed
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors G.D. Searle & Co. (now G.D. Searle, LLC) (US) 2007-01-18 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
EP-0813867-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
EP-0813868-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP 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
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP disclosed
US-5475027-A Retroviral protease inhibitors G.D. SEARLE & CO. (US) 1995-12-12 US disclosed
US-5475013-A Inhibit human immunodeficiency virus protease MONSANTO COMPANY (US) 1995-12-12 US 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
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
WO-1992008701-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

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-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME LAP3 170/4885ANPEP 10/4885RNPEP 5/4885
US-20070015818-A1 Cyclic sulfone containing retroviral protease inhibitors TMPRSS15, TMPRSS11D, MME LAP3 162/4885ANPEP 12/4885RNPEP 23/4885

“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.