SCHEMBL2906321

SCHEMBL2906321

Cc1cc(OC(C)(C)C(=O)O)c(C)cc1OCCN(C)c1nc(-c2ccc(-c3ccccc3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
CYP2C9 P11712 1/20 0.41
GSTO1 P78417 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
LTB4R Q15722 3/20 0.39
PPARG P37231 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2901188 0.95 RAB9A (0.46) ALDH1A1RAB9ATP53GAAPPARD
SCHEMBL2901332 0.91 PPARD (0.49) ALDH1A1PPARDPPARAGSTO1L3MBTL1
SCHEMBL2901278 0.91 KMT2A (0.47) ALDH1A1RAB9APPARDPPARAMAPT
SCHEMBL2903759 0.90 PPARD (0.49) PPARDPPARAMAPTMEN1KMT2A
SCHEMBL2901229 0.87 PPARD (0.47) ALDH1A1RAB9ATP53GAAPPARD
SCHEMBL2904008 0.87 KMT2A (0.50) ALDH1A1RAB9APPARDPPARAMAPT
SCHEMBL2906810 0.86 PPARD (0.46) ALDH1A1PPARDPPARAMEN1KMT2A
SCHEMBL2907616 0.86 TRPA1 (0.41) ALDH1A1RAB9ATP53GAAPPARD
SCHEMBL2904547 0.85 PPARD (0.48) PPARDPPARAMEN1KMT2APPARG
SCHEMBL2903628 0.82 PPARD (0.57) PPARDPPARAPPARG

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 11 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
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
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 ALDH1A1 815/4885RAB9A 4182/4885TP53 2132/4885

“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.