SCHEMBL1398615

SCHEMBL1398615

COc1ccc(-c2nc(C)sc2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 2/20 0.62
PTGDR2 Q9Y5Y4 4/20 0.51
ALOX5 P09917 1/20 0.51
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
PTGS2 P35354 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL203775 0.86 ALDH1A1 (0.60) ALDH1A1HPGDPTGDR2MAPTMEN1
SCHEMBL1398786 0.85 GAA (0.57) ALDH1A1HPGDPTGDR2ALOX5MAPT
SCHEMBL13494115 0.84 RXRA (0.45) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL7051370 0.84 ALOX5 (0.54) ALDH1A1HPGDPTGDR2ALOX5MAPT
SCHEMBL5524292 0.84 GAA (0.49) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL13494131 0.84 RARA (0.54) ALDH1A1HPGDPTGDR2MAPTMEN1
SCHEMBL275863 0.83 NTRK1 (0.59) ALDH1A1HPGDALOX5KMT2APTGS2
SCHEMBL1339569 0.83 PTGS2 (0.54) ALDH1A1PTGDR2ALOX5KMT2APTGS2
SCHEMBL1398715 0.83 PTGDR2 (0.62) ALDH1A1PTGDR2MAPTMEN1KMT2A
SCHEMBL4786383 0.82 DHODH (0.62) ALDH1A1HPGDMAPTMEN1KMT2A

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-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 1961/4885HPGD 1787/4885PTGDR2 294/4885

“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.