SCHEMBL3351265

SCHEMBL3351265

N[C@H](CC(=O)O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KEAP1 Q14145 1/20 0.43
CYP2C19 P33261 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DAO P14920 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2030179 1.00 ALOX5 (0.44) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL2481473 1.00 ALOX5 (0.44) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL5846678 0.91 RAB9A (0.41) ALOX5CES2CES1KEAP1SLC1A3
SCHEMBL5846668 0.91 RAB9A (0.41) ALOX5CES2CES1KEAP1SLC1A3
SCHEMBL11544964 0.84 HPGD (0.44) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL11413903 0.84 ALOX5 (0.42) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL658090 0.81 CES2 (0.46) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL28642254 0.81 CES2 (0.44) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL1143873 0.80 ALOX5 (0.43) ALOX5CES2CES1KEAP1CYP2C19
SCHEMBL1520244 0.80 ALOX5 (0.43) ALOX5CES2CES1KEAP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015348-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-21 US claimed
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-9809706-B2 Racemic drug resolution using polymer supported chiral selector COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-11-07 US disclosed
US-20160208088-A1 Racemic Drug Resolution Using Polymer Supported Chiral Selector COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-07-21 US disclosed
EP-1386901-B1 Method for producing an optically active beta-amino acid TAKASAGO PERFUMERY CO LTD (JP) 2015-07-01 EP disclosed
WO-2015029072-A2 RACEMIC DRUG RESOLUTION USING POLYMER SUPPORTED CHIRAL SELECTOR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-03-05 WO disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100285540-A1 Process for the preparation of (R)-Beta-Arylalanines by coupled Racemase/Aminomutase catalysis BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-11-11 US disclosed
CN-101842378-A Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS INC (US) 2010-09-22 CN disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO disclosed
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
US-20060122418-A1 Method for producing an optically active beta-amino acid MATSUMURA KAZUHIKO 2006-06-08 US disclosed
US-7015348-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-21 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 ALOX5 4442/4885CES2 3685/4885CES1 1438/4885
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 ALOX5 338/4885CES2 1114/4885CES1 501/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 ALOX5 4708/4885CES2 4472/4885CES1 1825/4885
US-20060122418-A1 Method for producing an optically active beta-amino acid AADAT, DAO, BCAT2 ALOX5 761/4885CES2 704/4885CES1 364/4885
US-20100285540-A1 Process for the preparation of (R)-Beta-Arylalanines by coupled Racemase/Aminomutase catalysis ARSA, RNPEP, DDC ALOX5 3461/4885CES2 701/4885CES1 368/4885

“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.