SCHEMBL3866544

SCHEMBL3866544

O=C(O)[C@@H](Cc1ccccc1)[C@@H](O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.63
SLC1A2 P43004 2/20 0.63
SLC1A1 P43005 2/20 0.63
CYP1A2 P05177 1/20 0.57
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CPA1 P15085 3/20 0.50
CPA3 P15088 3/20 0.50
FOLH1 Q04609 1/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
SRR Q9GZT4 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MDM2 Q00987 1/20 0.47
ACE P12821 1/20 0.46
TRPA1 O75762 1/20 0.46

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
SCHEMBL7436297 1.00 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
SCHEMBL2243422 1.00 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
SCHEMBL3867023 1.00 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL2919214 0.87 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL4755513 0.87 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL305323 0.87 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
(2R,3R)-2,3-Dibenzylsuccinic Acid SCHEMBL7289849 0.87 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
SCHEMBL9554592 0.86 SLC1A3 (0.58) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
SCHEMBL7269073 0.85 SLC1A3 (0.66) SLC1A3SLC1A2SLC1A1CYP1A2ALPI
SCHEMBL29365045 0.84 ANPEP (0.51) SLC1A3SLC1A2SLC1A1PTGS1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379288-B1 Process and intermediates for isopropyl 3S-amino-2R-hydroxyalkanoates PFIZER (US) 1993-12-22 EP claimed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed
US-5321143-A Reacting tartaric acid, ester or amide with thionyl chloride; cyclization, in situ oxidation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-06-14 US disclosed
US-5166400-A Intermediates for isopropyl 3S-amino-2R-hydroxy-alkanoates PFIZER INC. (US) 1992-11-24 US disclosed
US-5112990-A Oxidation of cyclic sulfites produced from dihydroxy compounds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-05-12 US disclosed
US-5036155-A Process for isopropyl 3S-amino-2R-hydroxy-alkanoates PFIZER INC. (US) 1991-07-30 US disclosed
US-5023342-A Intermediates for antibiotics and pheronomes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-06-11 US disclosed
EP-0417187-A1 RUTHENIUM-CATALYZED PRODUCTION OF CYCLIC SULFATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-03-20 EP disclosed
US-4965372-A Process and intermediates for isopropyl 3S-amino-2R-hydroxy-alkanoates PFIZER INC. (US) 1990-10-23 US disclosed
EP-0379288-A1 Process and intermediates for isopropyl 3S-amino-2R-hydroxyalkanoates PFIZER INC. (US) 1990-07-25 EP disclosed
WO-1989011478-A1 RUTHENIUM-CATALYZED PRODUCTION OF CYCLIC SULFATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-11-30 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 (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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD SLC1A3 1239/4885SLC1A2 1001/4885SLC1A1 839/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD SLC1A3 1256/4885SLC1A2 984/4885SLC1A1 849/4885

“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.