Sugi Predict

Sugi Predict / Compounds / SCHEMBL5872022

SCHEMBL5872022

SCHEMBL5872022

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.43
▸ ACE P12821 3/20 0.43
▸ PSEN1 P49768 10/20 0.42
▸ PSEN2 P49810 10/20 0.42
▸ APH1B Q8WW43 10/20 0.42
▸ NCSTN Q92542 10/20 0.42
▸ APH1A Q96BI3 10/20 0.42
▸ PSENEN Q9NZ42 10/20 0.42
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL8762274 1.00 MME (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5405883 1.00 MME (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5871974 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5871880 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2842137 0.86 HPGD (0.43) MMEACEPSEN1PSEN2APH1B
SCHEMBL5871924 0.85 PSEN1 (0.46) MMEACEPSEN1PSEN2APH1B
SCHEMBL5404893 0.83 LAP3 (0.47) MMEACEPSEN1PSEN2APH1B
SCHEMBL8159887 0.83 LAP3 (0.47) MMEACEPSEN1PSEN2APH1B
SCHEMBL14524365 0.82 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12992322 0.82 PSEN1 (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 17 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
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-0730570-B1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 2000-04-19 — — EP 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 MME 3/4885ACE 1/4885PSEN1 866/4885
US-20030171612-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME MME 3/4885ACE 1/4885PSEN1 799/4885
US-20010047111-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME MME 3/4885ACE 1/4885PSEN1 799/4885
US-20050131075-A1 Method of preparing retroviral protease inhibitor intermediates ACE, REN, MME MME 3/4885ACE 1/4885PSEN1 766/4885

“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.