SCHEMBL22206264

SCHEMBL22206264

N[C@@H](CS)C(=O)NCC(=O)OOC(=O)CNC(=O)[C@@H](N)CS

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
PTGS1 P23219 2/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.36
FNTA P49354 5/20 0.35
FNTB P49356 5/20 0.35
PGGT1B P53609 2/20 0.33
TLR2 O60603 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MME P08473 2/20 0.30
ACE P12821 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9780217 0.86 TET2 (0.44) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL9780221 0.86 TET2 (0.44) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL672960 0.82 GAA (0.46) MMP2PTGS1SLC7A11ALDH1A1LMNA
SCHEMBL3719817 0.82 MMP2 (0.38) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL18257464 0.82 MMP2 (0.38) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL18257486 0.82 MMP2 (0.38) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL213625 0.79 PTGS1 (0.53) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL20807626 0.79 PTGS1 (0.44) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL21153856 0.79 PTGS1 (0.44) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL213626 0.79 PTGS1 (0.53) MMP2PTGS1SLC7A11GSTK1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116519812-A Application of biomarker in preparation of gestational diabetes diagnostic reagent 杭州凯莱谱精准医疗检测技术有限公司 2023-08-01 CN claimed
CN-114167066-B Application of biomarker in preparation of gestational diabetes diagnosis reagent 杭州凯莱谱精准医疗检测技术有限公司 2022-06-21 CN claimed
US-20240361326-A1 EXOSOMAL LIPIDS AND METABOLITES FOR THE EARLY DETECTION OF HEPATOCELLULAR CARCINOMA BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-31 US disclosed
US-11929171-B2 Methods for evaluation and treatment of glycemic dysregulation and atherosclerotic cardiovascular disease and applications thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-03-12 US disclosed
CN-116519811-A System for predicting blood glucose level of pregnant individual 杭州凯莱谱精准医疗检测技术有限公司 2023-08-01 CN disclosed
CN-116519812-A Application of biomarker in preparation of gestational diabetes diagnostic reagent 杭州凯莱谱精准医疗检测技术有限公司 2023-08-01 CN disclosed
US-20200227166-A1 Methods for Evaluation and Treatment of Glycemic Dysregulation and Atherosclerotic Cardiovascular Disease and Applications Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-07-16 US disclosed