SCHEMBL2900976

SCHEMBL2900976

Cc1cc(OC(C)(C)C(=O)O)c(C)cc1OCCCCNc1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.47
PPARA Q07869 7/20 0.47
PPARG P37231 4/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GSTO1 P78417 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
DRD2 P14416 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL2901181 0.97 PPARD (0.47) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL2906603 0.95 PPARD (0.48) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL2901183 0.88 PPARD (0.49) PPARDPPARAPTPN2PTPN1
SCHEMBL2906846 0.88 RAB9A (0.48) PPARDPPARAMEN1KMT2AALDH1A1
SCHEMBL2906629 0.87 PPARD (0.48) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL2900685 0.86 PTPN1 (0.46) PPARDPPARAMEN1KMT2AGSTO1
SCHEMBL2904024 0.86 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL2906469 0.85 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL2906440 0.85 PPARD (0.50) PPARDPPARAPPARGGSTO1ALDH1A1
SCHEMBL2903594 0.85 PPARD (0.49) PPARDPPARAPPARGMEN1KMT2A

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 9 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
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

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 1/4885PPARA 3/4885PPARG 2/4885

“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.