SCHEMBL442337

SCHEMBL442337

C[C@@H](OP(=O)(O)OC(=O)[C@@H]1CCCN1)[C@H](N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 4/20 0.37
GPR174 Q9BXC1 4/20 0.37
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
DPP4 P27487 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 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
Proline SCHEMBL27820177 0.82 MEN1 (0.37) P2RY10GPR174NOS2NOS3NOS1
SCHEMBL1887227 0.80 NOS2 (0.40) NOS2NOS3NOS1DPP4CYP1A2
Threonine SCHEMBL7041488 0.72 NOS2 (0.33) NOS2NOS3NOS1CYP1A2CYP2C19
Proline SCHEMBL7043240 0.72 NOS2 (0.33) NOS2NOS3NOS1CYP1A2CYP2C19
SCHEMBL29761126 0.72 NOS2 (0.41) NOS2NOS3NOS1DPP4CYP1A2
Leucine SCHEMBL6463328 0.72 SLC7A5 (0.44) NOS2NOS3NOS1DPP4CYP1A2
SCHEMBL7937462 0.71 DPP4 (0.40) NOS2NOS3NOS1DPP4CYP1A2
Valine SCHEMBL2543574 0.69 SLC7A5 (0.50) NOS2NOS3NOS1DPP4CYP1A2
Valine SCHEMBL2543573 0.69 SLC7A5 (0.50) NOS2NOS3NOS1DPP4CYP1A2
Valine SCHEMBL137917 0.69 SLC7A5 (0.50) NOS2NOS3NOS1DPP4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120244594-A9 Immunoaffinity isolation of modified peptides from complex mixtures CELL SIGNALING TECHNOLOGY, INC. 2012-09-27 US claimed
US-20110053242-A1 Immunoaffinity isolation of modified peptides from complex mixtures CELL SIGNALING TECHNOLOGY, INC. 2011-03-03 US claimed
US-7300753-B2 Immunoaffinity isolation of modified peptides from complex mixtures CELL SIGNALING TECHNOLOGY, INC. 2007-11-27 US claimed
EP-1012178-B1 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES BETH ISRAEL HOSPITAL (US) 2006-07-12 EP claimed
US-20050003450-A1 Immunoaffinity isolation of modified peptides from complex mixtures CELL SIGNALING TECHNOLOGY, INC. 2005-01-06 US claimed
US-20030109423-A1 Inhibitors of phosphoserine and phosphothreonine-proline-specific isomerases MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER AND BETH ISRAEL DEACONESS MEDICAL CENTER 2003-06-12 US claimed
US-6462173-B1 PEPTIDE MIMETIC ANTIPROLIFERATIVE, ANTITUMOR, ANTICARCINOGENIC, ANTIAPOPTOTIC AND ANTIMITOTIC AGENTS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER (DE) 2002-10-08 US claimed
EP-1012178-A1 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES Beth Israel Deaconess Medical Center (US) 2000-06-28 EP claimed
WO-1999012962-A1 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 1999-03-18 WO claimed
US-10407712-B2 Methods, compositions and kits for high throughput kinase activity screening using mass spectrometry and stable isotopes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-10 US disclosed
US-20180119198-A1 Methods, Compositions and Kits for High Throughput Kinase Activity Screening Using Mass Spectrometry and Stable Isotopes HARVARD COLLEGE (US) 2018-05-03 US disclosed
EP-2347263-B1 METHODS, COMPOSITIONS AND KITS FOR HIGH THROUGHPUT KINASE ACTIVITY SCREENING USING MASS SPECTROMETRY AND STABLE ISOTOPES HARVARD COLLEGE (US) 2017-05-17 EP disclosed
US-9587013-B2 Immunoaffinity isolation of modified peptides from complex mixtures CELL SIGNALING TECHNOLOGY, INC. (US) 2017-03-07 US disclosed
US-20150369816-A1 Polypeptide Immobilization UNIV CHICAGO (US) 2015-12-24 US disclosed
WO-2000048621-A2 METHODS AND COMPOSITIONS FOR REGULATING PROTEIN-PROTEIN INTERACTIONS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2000-08-24 WO disclosed
EP-1012178-A1 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES Beth Israel Deaconess Medical Center (US) 2000-06-28 EP disclosed
EP-1012178-A1 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES Beth Israel Deaconess Medical Center (US) 2000-06-28 EP disclosed
WO-1999012962-A8 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES BETH ISRAEL HOSPITAL (US) 1999-07-01 WO disclosed
WO-1999012962-A1 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 1999-03-18 WO disclosed
WO-1999012962-A1 INHIBITORS OF PHOSPHOSERINE AND PHOSPHOTHREONINE-PROLINE-SPECIFIC ISOMERASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 1999-03-18 WO disclosed