SCHEMBL4344232

SCHEMBL4344232

CC([C@H]1CO1)N(C(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NOX1 Q9Y5S8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAOB P27338 2/20 0.46
LMNA P02545 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL3172057 0.87 MAOB (0.49) ALOX5MAOBNR4A2
SCHEMBL5670634 0.85 KMT2A (0.42) ALOX5PTGS1PTGS2MAOBNR4A2
SCHEMBL3169185 0.79 TRPM8 (0.33) LMNA
SCHEMBL4339806 0.79 ALOX5 (0.46) ALOX5L3MBTL1LMNA
SCHEMBL19320786 0.73 LTA4H (0.50) PTGS1PTGS2MAOBLMNALTA4H
SCHEMBL464737 0.73 MAOB (0.47) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL13117273 0.71 LMNA (0.51) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL1740392 0.70 KDM4E (0.53) ALOX5PTGS1PTGS2NOX1L3MBTL1
SCHEMBL4079035 0.70 PPARG (0.50) MAOBLTA4H
SCHEMBL4344226 0.70 PPARG (0.50) MAOBLTA4H

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
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1686113-A1 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-08-02 EP disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 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 (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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ALOX5 4072/4885PTGS1 2228/4885PTGS2 1822/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ALOX5 4072/4885PTGS1 2228/4885PTGS2 1822/4885

“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.