SCHEMBL2901670

SCHEMBL2901670

Cc1cc(OCCCN(C)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c(C)cc1CC(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.44
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
LTB4R Q15722 1/20 0.41
GSTO1 P78417 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALOX5 P09917 1/20 0.38
PSEN1 P49768 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL2900695 0.96 PPARD (0.45) PPARDALDH1A1L3MBTL1ATP4AATP4B
SCHEMBL2901229 0.87 PPARD (0.47) PPARDALDH1A1L3MBTL1ATP4AATP4B
SCHEMBL4182282 0.86 PPARD (0.52) PPARDALDH1A1L3MBTL1ATP4AATP4B
SCHEMBL2906810 0.85 PPARD (0.46) PPARDALDH1A1L3MBTL1ATP4AATP4B
SCHEMBL2906451 0.84 PPARD (0.44) PPARDALDH1A1L3MBTL1GSTO1MEN1
SCHEMBL2901332 0.83 PPARD (0.49) PPARDALDH1A1L3MBTL1ATP4AATP4B
SCHEMBL2903604 0.83 PPARD (0.45) PPARDALDH1A1L3MBTL1GSTO1MEN1
SCHEMBL2904547 0.79 PPARD (0.48) PPARDMEN1KMT2APPARAPPARG
SCHEMBL2901188 0.79 RAB9A (0.46) PPARDALDH1A1L3MBTL1ATP4AATP4B
SCHEMBL2907616 0.78 TRPA1 (0.41) PPARDALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951692-B1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-08-18 EP claimed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US claimed
CN-101304984-A * Azole and thiazole PPAR modulators IRM LLC (BM) 2008-11-12 CN claimed
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP claimed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO claimed
EP-1951692-B1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-08-18 EP disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
CN-101304984-A * Azole and thiazole PPAR modulators IRM LLC (BM) 2008-11-12 CN disclosed
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 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-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR PPARD, PPARG, PPARA PPARD 1/4885ALDH1A1 815/4885L3MBTL1 4013/4885

“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.