SCHEMBL2906451

SCHEMBL2906451

Cc1cc(OCCCNc2nc(-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 6/20 0.44
GSTO1 P78417 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
MRE11 P49959 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
ALOX5 P09917 2/20 0.38
PSEN1 P49768 1/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 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
SCHEMBL2903604 0.97 PPARD (0.45) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2901181 0.87 PPARD (0.47) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL4182282 0.86 PPARD (0.52) PPARDALDH1A1L3MBTL1ALOX5PSEN1
SCHEMBL2900976 0.85 PPARD (0.47) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2906603 0.85 PPARD (0.48) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2901670 0.84 PPARD (0.44) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2900695 0.83 PPARD (0.45) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2904298 0.82 PPARD (0.44) PPARDGSTO1MEN1KMT2AALDH1A1
SCHEMBL2906440 0.79 PPARD (0.50) PPARDGSTO1ALDH1A1L3MBTL1SIRT5
SCHEMBL2901183 0.78 PPARD (0.49) PPARDMRE11ALOX5PPARATRPA1

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 1/4885GSTO1 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.