SCHEMBL2158686

SCHEMBL2158686

N[C@@H](CO)C(=O)OC(=O)[C@@H](N)CO

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.37
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 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
SCHEMBL2029989 0.88 SLC7A5 (0.33) SLC1A1
SCHEMBL1679518 0.88 SLC7A5 (0.33) SLC1A1
SCHEMBL1373431 0.88 PTGS1 (0.46) SLC1A1PTGS1SLC7A11
SCHEMBL2150325 0.86 ALOX15 (0.31) SLC1A1
Hydrochloric Acid SCHEMBL7629423 0.86 SLC1A1 (0.30) SLC1A1
SCHEMBL17423639 0.86 SLC7A5 (0.32) SLC1A1
SCHEMBL10855524 0.86 SLC1A1 (0.39) SLC1A1PTGS1SLC7A11USP2SLCO1B1
SCHEMBL174379 0.86
SCHEMBL4260594 0.86
SCHEMBL678279 0.85 ALDH1A1 (0.41) SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385050-A1 A process for preparing a substituted oxazole Schering Corporation (US) 2011-11-09 EP disclosed
EP-2385051-A1 Process for making a substituted oxazole Schering Corporation (US) 2011-11-09 EP disclosed
US-7985860-B2 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives SCHERING CORPORATION (US) 2011-07-26 US disclosed
EP-2069284-A2 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 2-(QUINOLIN-5-YL)-4,5 DISUBSTITUTED-AZOLE DERIVATIVES SCHERING CORPORATION (US) 2009-06-17 EP disclosed
WO-2008021235-A2 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 2-(QUINOLIN-5-YL)-4,5 DISUBSTITUTED-AZOLE DERIVATIVES SCHERING CORPORATION (US) 2008-02-21 WO disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 US 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 (1 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-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives PDE4B, PDE4A, PDE3B SLC1A1 4153/4885PTGS1 588/4885SLC7A11 3951/4885

“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.