SCHEMBL6487973

SCHEMBL6487973

O=C(N[C@H](CSc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.62
PPARA Q07869 3/20 0.61
PPARG P37231 1/20 0.61
CA2 P00918 1/20 0.59
CTSK P43235 3/20 0.51
TACR1 P25103 2/20 0.51
MMP13 P45452 2/20 0.51
CTRB1 P17538 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49

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
SCHEMBL1541597 1.00 CASP1 (0.62) CASP1PPARAPPARGCA2CTSK
SCHEMBL4973400 1.00 CASP1 (0.62) CASP1PPARAPPARGCA2CTSK
SCHEMBL7810073 0.99 CASP1 (0.61) CASP1PPARAPPARGCA2CTSK
SCHEMBL7810068 0.99 CASP1 (0.61) CASP1PPARAPPARGCA2CTSK
SCHEMBL7309224 0.90 PPARA (0.55) CASP1PPARAPPARGCA2CTSK
SCHEMBL7309215 0.90 PPARA (0.55) CASP1PPARAPPARGCA2CTSK
SCHEMBL7564546 0.89 KYNU (0.58) CASP1PPARAPPARGCA2CTSK
SCHEMBL6576404 0.89 KYNU (0.58) CASP1PPARAPPARGCA2CTSK
SCHEMBL4968729 0.89 KYNU (0.58) CASP1PPARAPPARGCA2CTSK
SCHEMBL7810070 0.88 CA2 (0.61) CASP1PPARAPPARGCA2CTSK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1046634-B1 PROCESSES FOR PRODUCING BETA-HALOGENO-ALPHA-AMINO-CARBOXYLIC ACIDS AND PHENYLCYSTEINE DERIVATIVES AND INTERMEDIATES THEREOF KANEKA CORP (JP) 2003-09-10 EP 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-20020103399-A1 Processes for producing B-halogeno-a-amino-carboxylic acids and phenylcysteine derivatives and intermediates thereof YAMASHITA KOKI (JP) 2002-08-01 US disclosed
US-20020082450-A1 Processes for producing B-halogeno-a-amino-carboxylic acids and phenylcysteine derivatives and intermediates thereof YAMASHITA KOKI (JP) 2002-06-27 US disclosed
US-6372941-B1 HALOGENATING HYDROXYL GROUP OF BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID OR ACID SALT THEREOF BY TREATING WITH HALOGENATING AGENT IN ETHER SOLVENT KANEKA CORPORATION (JP) 2002-04-16 US disclosed
US-20020035288-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2002-03-21 US disclosed
EP-1046634-A1 PROCESSES FOR PRODUCING BETA-HALOGENO-ALPHA-AMINO-CARBOXYLIC ACIDS AND PHENYLCYSTEINE DERIVATIVES AND INTERMEDIATES THEREOF KANEKA CORPORATION (JP) 2000-10-25 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 (5 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-20020103399-A1 Processes for producing B-halogeno-a-amino-carboxylic acids and phenylcysteine derivatives and intermediates thereof BCAT1, CBS, BCAT2 CASP1 2024/4885PPARA 243/4885PPARG 198/4885
US-20040210089-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK CASP1 1505/4885PPARA 2150/4885PPARG 2853/4885
US-20020035288-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK CASP1 1505/4885PPARA 2150/4885PPARG 2853/4885
US-20020082450-A1 Processes for producing B-halogeno-a-amino-carboxylic acids and phenylcysteine derivatives and intermediates thereof BCAT1, CBS, BCAT2 CASP1 2024/4885PPARA 243/4885PPARG 198/4885
US-20030100796-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK CASP1 1505/4885PPARA 2150/4885PPARG 2853/4885

“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.