SCHEMBL2907451

SCHEMBL2907451

COC(=O)C(C)(C)Oc1cc(C)c(OCCBr)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
FBP1 P09467 1/20 0.34
KDM4E B2RXH2 5/20 0.33

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
SCHEMBL3069062 0.93 RAB9A (0.41) RAB9ALMNAHTTPPARAPPARG
SCHEMBL2904561 0.92 RAB9A (0.43) RAB9ALMNAHTTPPARAPPARG
SCHEMBL14534056 0.86 RAB9A (0.39) RAB9ALMNAHTTPPARAPPARG
SCHEMBL2906168 0.84 PPARD (0.42) RAB9APPARAPPARGSMN1; SMN2FBP1
SCHEMBL2905969 0.80 MAPT (0.36) RAB9ALMNAHTTPPARAPPARG
SCHEMBL2903244 0.79 FBP1 (0.32) RAB9ALMNAHTTPPARASMN1; SMN2
SCHEMBL2903637 0.79 RAB9A (0.34) RAB9ALMNAHTTPPARAPPARG
SCHEMBL2906316 0.78 PPARA (0.45) RAB9APPARAPPARGTSHRCYP2C9
SCHEMBL2908470 0.77 CNR1 (0.36) RAB9ALMNAPPARATSHRCYP2C9
SCHEMBL2905719 0.77 PTGS2 (0.36) RAB9ALMNAHTTFBP1TP53

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 disclosed
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
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 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
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 RAB9A 4182/4885LMNA 3053/4885HTT 2677/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD RAB9A 3045/4885LMNA 1383/4885HTT 1136/4885

“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.