SCHEMBL2906168

SCHEMBL2906168

COC(=O)C(C)(C)Oc1ccc(OCCBr)cc1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.42
PPARA Q07869 13/20 0.42
FBP1 P09467 1/20 0.41
PPARG P37231 7/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL13210271 0.88 PPARD (0.46) PPARDPPARAFBP1PPARGL3MBTL1
SCHEMBL14534197 0.87 PPARD (0.42) PPARDPPARAFBP1PPARGL3MBTL1
SCHEMBL2907451 0.84 RAB9A (0.39) PPARDPPARAFBP1PPARGRAB9A
SCHEMBL2900983 0.80 PPARD (0.50) PPARDPPARAPPARGRAB9ASMN1; SMN2
SCHEMBL3069062 0.77 RAB9A (0.41) PPARAFBP1PPARGRAB9AHPGD
SCHEMBL4186855 0.77 PPARD (0.55) PPARDPPARAPPARGHPGDSMN1; SMN2
SCHEMBL28277544 0.77 FBP1 (0.41) PPARDPPARAFBP1PPARG
SCHEMBL4399378 0.76 RAB9A (0.50) FBP1RAB9AHPGDSMN1; SMN2
SCHEMBL2904561 0.76 RAB9A (0.43) PPARAFBP1PPARGRAB9ASMN1; SMN2
SCHEMBL5186652 0.76 FBP1 (0.54) PPARDPPARAFBP1PPARG

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 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
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS 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 (2 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 3/4885FBP1 929/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885FBP1 317/4885

“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.