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Sugi Predict / Compounds / SCHEMBL4976559

SCHEMBL4976559

SCHEMBL4976559

COC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 3/20 0.59
▸ CMA1 P23946 3/20 0.59
▸ POLB P06746 2/20 0.50
▸ ACE P12821 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CTSS P25774 3/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7499927 1.00 CTSG (0.59) CTSGCMA1POLBACEALDH1A1
SCHEMBL7486728 1.00 CTSG (0.59) CTSGCMA1POLBACEALDH1A1
SCHEMBL7487527 0.87 CTSG (0.55) CTSGCMA1POLBACEALDH1A1
SCHEMBL7493291 0.87 CTSG (0.55) CTSGCMA1POLBACEALDH1A1
SCHEMBL8493838 0.87 CTSG (0.55) CTSGCMA1POLBACEALDH1A1
SCHEMBL7487532 0.87 CTSG (0.55) CTSGCMA1POLBACEALDH1A1
SCHEMBL8921709 0.86 POLB (0.51) POLBACEALDH1A1ALOX15ATM
SCHEMBL8917692 0.86 POLB (0.51) POLBACEALDH1A1ALOX15ATM
SCHEMBL15355011 0.86 POLB (0.51) POLBACEALDH1A1ALOX15ATM
SCHEMBL638877 0.86 ACE (0.68) CTSGCMA1ACEATMCTSS

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 — — EP claimed
EP-0779366-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 1-HALO-3-AMINO-4-PHENYL-2-BUTANOL DERIVATIVES KANEKA CORP (JP) 2002-04-03 — — EP claimed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 — — US claimed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 — — EP claimed
US-5726047-A Process for stereoselectively reducing 1-halo-3-amino-4-phenyl-2-butanone to the corresponding alcohol with microorganisms KANEKA CORPORATION (JP) 1998-03-10 — — US claimed
EP-0779366-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 1-HALO-3-AMINO-4-PHENYL-2-BUTANOL DERIVATIVES KANEKA CORPORATION (JP) 1997-06-18 — — EP claimed
EP-1148046-B1 PROCESS FOR THE PREPARATION OF ALPHA-AMINOKETONES AJINOMOTO KK (JP) 2008-10-22 — — EP disclosed
US-6906224-B2 Process for producing α-aminoketones AJINOMOTO CO., INC. (JP) 2005-06-14 — — US disclosed
US-20040210089-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2004-10-21 — — US disclosed
US-6696571-B2 REACTING A 3-OXAZOLIDIN-5-ONE DERIVATIVE WITH A HALOMETHYL LITHIUM AND THEN TREATING WITH AN ACID AJINOMOTO CO., INC. (JP) 2004-02-24 — — US disclosed
US-6683214-B2 REACTING A N-PROTECTED AMINOACID ESTER WITH HALOMETHYLLITHIUM COMPOUND; THEN ACID AJINOMOTO CO., INC. (JP) 2004-01-27 — — US disclosed
US-20030100796-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2003-05-29 — — US disclosed
US-6570039-B2 Oxazolidine compounds as chemical intermediates AJINOMOTO CO., INC. (JP) 2003-05-27 — — US disclosed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 — — US disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 — — EP disclosed
CN-1238327-A Stereoselective reduction of carbonyl compounds HOFFMANN LA ROCHE (CH) 1999-12-15 — — CN disclosed
US-5929284-A REACTING CARBOXYLIC ACID DERIVATIVE AND METAL ENOLATE PREPARED FROM ALPHA-HALOACETIC ACID, DECARBOXYLATING REACTION PRODUCT IN SITU TO PRODUCE ALPHA-HALO KETONE KANEKA CORPORATION (JP) 1999-07-27 — — US disclosed
US-5726047-A Process for stereoselectively reducing 1-halo-3-amino-4-phenyl-2-butanone to the corresponding alcohol with microorganisms KANEKA CORPORATION (JP) 1998-03-10 — — US disclosed
EP-0779366-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 1-HALO-3-AMINO-4-PHENYL-2-BUTANOL DERIVATIVES KANEKA CORPORATION (JP) 1997-06-18 — — EP disclosed
EP-0754669-A1 PROCESSES FOR PRODUCING ALPHA-HALO KETONES, ALPHA-HALOHYDRINS AND EPOXIDES KANEKA CORPORATION (JP) 1997-01-22 — — 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-20040210089-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK CTSG 3459/4885CMA1 2053/4885POLB 2406/4885
US-20030100796-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK CTSG 3459/4885CMA1 2053/4885POLB 2406/4885

“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.