Sugi Predict

Sugi Predict / Compounds / SCHEMBL5041887

SCHEMBL5041887

SCHEMBL5041887

CC(C)(C)OC(=O)N[CH]Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ AKT1 P31749 3/20 0.49
▸ IDO1 P14902 1/20 0.49
▸ CTSS P25774 5/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSB P07858 3/20 0.47
▸ PPARA Q07869 2/20 0.47
▸ PPARG P37231 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ CTSK P43235 2/20 0.45
▸ SYK P43405 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ ACE P12821 1/20 0.43

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
SCHEMBL7877052 0.86 MIF (0.49) CA12CA1CA7CA14CTSS
SCHEMBL7878972 0.84 EPHX2 (0.41) CA12CA1CA7CA14ATM
SCHEMBL8837533 0.84 CA12 (0.49) CA12CA1CA7CA14ATM
SCHEMBL6608684 0.84 CYP17A1 (0.52) CA12CA1CA7CA14ATM
SCHEMBL7962638 0.83 ALDH1A1 (0.45) CA1
SCHEMBL6608862 0.83 CYP3A4 (0.52) KMT2A
SCHEMBL7881460 0.82 PPARA (0.52) CA12CA1CA7CA14ATM
SCHEMBL6610543 0.80 PPARA (0.47) CA12CA1CA7CA14ATM
SCHEMBL7709972 0.80 SYK (0.50) CA12CA1CA7CA14AKT1
SCHEMBL4583679 0.78 IDO1 (0.53) CA12CA1CA7CA14ATM

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
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 — — EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 — — WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 — — EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 — — WO claimed
EP-3066065-B1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID AMIDES, DI-, TRI- OR POLYPEPTIDES OR PEPTIDE AMIDES EVONIK DEGUSSA GMBH (DE) 2019-06-19 — — EP disclosed
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 — — US disclosed
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides EVONIK DEGUSSA GMBH (DE) 2016-09-22 — — US disclosed
EP-3066065-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES Evonik Degussa GmbH (DE) 2016-09-14 — — EP disclosed
WO-2015067450-A1 CATALYTIC HYDROGENATION FOR PRODUCING AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID DIAMIDES, DI-, TRI-, OR POLYPEPETIDES, OR PEPTIDE AMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 — — WO disclosed
EP-2868643-A1 Catalytic hydrogenation for the preparation of amines from carboxylic acid amides, carboxylic acid amides, di-, tri- or polypeptides or peptide amides Evonik Industries AG (DE) 2015-05-06 — — EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 — — US disclosed
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 — — US disclosed
CN-1178517-A Process for reduction of carbonyl compounds KANEKA CORP (JP) 1998-04-08 — — CN disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 — — EP disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 — — US disclosed
US-5608098-A Bis(aminomethyl)phosphinic acid derivatives and process for the preparation of bis(aminomethyl)phosphinic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 — — US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 — — EP disclosed
EP-0641319-A1 N- N'-(5-AMINO-4-HYDROXY-ACYLOYL)-$g(a)-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS Pfizer Limited (GB) 1995-03-08 — — EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 — — WO disclosed
EP-0356223-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1990-02-28 — — EP 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 (2 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B CA12 4745/4885CA1 4621/4885CA7 4335/4885
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides DAO, DDC, HDGF CA12 35/4885CA1 5/4885CA7 7/4885

“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.