SCHEMBL2901062

SCHEMBL2901062

COC(=O)C(C)(C)Oc1ccc(S(=O)(=O)Cl)cc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL941652 0.86 FBP1 (0.56) FBP1PTGDR2TSHRLMNAALDH1A1
SCHEMBL2905996 0.80 HSD17B2 (0.36) FBP1TSHRMAPK1LMNAMAPT
SCHEMBL2908459 0.78 FBP1 (0.42) FBP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL13210251 0.77 FBP1 (0.41) FBP1LMNASMN1; SMN2KMT2A
SCHEMBL4399378 0.77 RAB9A (0.50) FBP1TSHRLMNAALDH1A1MAPT
SCHEMBL739939 0.75 LMNA (0.55) TSHRMAPK1LMNAALDH1A1MAPT
SCHEMBL28657507 0.74 FBP1 (0.51) FBP1TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL2907446 0.73 HTT (0.60) TSHRMAPK1LMNAALDH1A1GAA
SCHEMBL4348248 0.73 KMT2A (0.52) TSHRLMNAALDH1A1MAPTGAA
SCHEMBL28277544 0.72 FBP1 (0.41) FBP1TSHR

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 11 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-20090088368-A1 COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2009-04-02 US disclosed
US-20090088368-A1 COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2009-04-02 US disclosed
EP-1979360-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP disclosed
WO-2007089667-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-08-09 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 FBP1 929/4885PTGDR2 240/4885TSHR 343/4885
US-20090088368-A1 COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS PPARG, PPARA, PPARD FBP1 293/4885PTGDR2 430/4885TSHR 549/4885

“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.