SCHEMBL2903604

SCHEMBL2903604

Cc1cc(OCCNc2nc(-c3ccc(C(F)(F)F)cc3)cs2)c(C)cc1CC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.45
GSTO1 P78417 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
MRE11 P49959 1/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
TRPA1 O75762 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MAPT P10636 2/20 0.38
WNT3A P56704 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
PSEN1 P49768 1/20 0.37

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
SCHEMBL2906451 0.97 PPARD (0.44) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2906603 0.87 PPARD (0.48) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2901181 0.85 PPARD (0.47) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL4182282 0.85 PPARD (0.52) PPARDALDH1A1L3MBTL1PPARAPPARG
SCHEMBL2904298 0.84 PPARD (0.44) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2900695 0.83 PPARD (0.45) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2901670 0.83 PPARD (0.44) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2900976 0.82 PPARD (0.47) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2904024 0.80 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL2906440 0.79 PPARD (0.50) PPARDGSTO1ALDH1A1L3MBTL1SIRT5

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 10 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
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 1/4885GSTO1 573/4885MEN1 4858/4885

“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.