SCHEMBL2279444

SCHEMBL2279444

O=C=NC(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
FOLH1 Q04609 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
GABRR1 P24046 2/20 0.31

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
SCHEMBL9003866 1.00 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FOLH1LMNA
SCHEMBL8711551 1.00 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FOLH1LMNA
Water SCHEMBL28069402 0.98 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6FOLH1LMNA
SCHEMBL12483314 0.82 PMP22 (0.35) LMNACYP3A4TSHRHIF1AHSD17B10
SCHEMBL10654850 0.82 PMP22 (0.35) LMNACYP3A4TSHRHIF1AHSD17B10
SCHEMBL28261895 0.81 CPA1 (0.44) FOLH1MAPT
Water SCHEMBL28286387 0.80 PMP22 (0.34) LMNACYP3A4TSHRHIF1AHSD17B10
SCHEMBL11158578 0.80 CYP3A4 (0.31) LMNACYP3A4TSHRHIF1AHSD17B10
SCHEMBL11155839 0.80 CYP3A4 (0.35) LMNACYP3A4TSHRHIF1AHSD17B10
SCHEMBL5630344 0.79 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6FOLH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109010830-A Application of the blood platelet related inhibitors in preparation treatment decrease of platelet disease drug 苏州大学 2018-12-18 CN claimed
CN-1889974-A Oligopeptides as coating material for medical products HEMOTEQ GMBH (DE) 2007-01-03 CN claimed
CN-105218685-B The anion polysaccharide being functionalized by least two hydrophobic groupings as entrained by the spacer of at least trivalent 阿道恰公司 2018-12-25 CN disclosed
CN-109010830-A Application of the blood platelet related inhibitors in preparation treatment decrease of platelet disease drug 苏州大学 2018-12-18 CN disclosed
CN-105498838-B A kind of Baeyer Villiger oxidation reaction catalysts and preparation method and application 石家庄学院 2017-11-21 CN disclosed
CN-105218685-A Functionalized anionic polysaccharide is carried out by least two hydrophobic groupings entrained by the spacer of at least trivalent ADOCIA 2016-01-06 CN disclosed
CN-102834117-B Anionic polysaccharides functionalized by at least two hydrophobic groups carried by an at least trivalent spacer ADOCIA (FR) 2015-11-25 CN disclosed
US-9115218-B2 Anionic polysaccharides functionalized by at least two hydrophobic groups carried by an at least trivalent spacer ADOCIA (FR) 2015-08-25 US disclosed
US-20140051706-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM PHARMA CO., LTD. (JP) 2014-02-20 US disclosed
CN-103517904-A Alpha-helix mimetics and methods relating thereto PRISM BIOLAB CORP 2014-01-15 CN disclosed
CN-102834117-A Anionic polysaccharides functionalized by at least two hydrophobic groups carried by an at least trivalent spacer ADOCIA 2012-12-19 CN disclosed
CN-1889974-B Oligopeptides as coating material for medical products HEMOTEQ GMBH 2012-08-29 CN disclosed
US-20110195913-A1 Anionic polysaccharides functionalized by at least two hydrophobic groups carried by an at least trivalent spacer ADOCIA (FR) 2011-08-11 US disclosed
CN-101595103-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2009-12-02 CN disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN disclosed
CN-1889974-A Oligopeptides as coating material for medical products HEMOTEQ GMBH (DE) 2007-01-03 CN disclosed
CN-85101227-A The preparation method of novel alpha-chlorinated carbonates and application 1987-01-24 CN 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-20140051706-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO COL1A1, PLOD3, THPO TDP1 1347/4885SMN1; SMN2 1746/4885SLC22A6 4056/4885
US-20110195913-A1 Anionic polysaccharides functionalized by at least two hydrophobic groups carried by an at least trivalent spacer CD44, CSGALNACT1, ALG1 TDP1 4396/4885SMN1; SMN2 3497/4885SLC22A6 921/4885

“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.