SCHEMBL2949564

SCHEMBL2949564

CC(C)Oc1ccc(-n2nc(CCl)nc2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 1/20 0.38
CACNA2D1 P54289 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.36
NPBWR1 P48145 2/20 0.36
MCHR1 Q99705 2/20 0.36
NPY5R Q15761 1/20 0.36
SCN5A Q14524 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36

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
SCHEMBL13239882 0.89 PTGS2 (0.45) PTGS1PTGS2PPARDNPBWR1MCHR1
SCHEMBL2945886 0.89 PTGS1 (0.42) PTGS1PTGS2MAPTMAPK1KDM4E
SCHEMBL13239894 0.89 PPARD (0.41) MAPTSLC5A1PPARDNPY5RBCL2
SCHEMBL13239896 0.89 PTGS1 (0.46) PTGS1PTGS2MAPTMAPK1KDM4E
SCHEMBL13239884 0.87 PTGS1 (0.56) PTGS1PTGS2MAPTMAPK1KDM4E
SCHEMBL13239892 0.85 HTR7 (0.43) PTGS1PTGS2BCL2MDM2MCL1
SCHEMBL13239897 0.84 PTGS1 (0.42) PTGS1PTGS2MAPTMAPK1KDM4E
SCHEMBL13239893 0.82 MAPT (0.41) PTGS1PTGS2MAPTMAPK1GAA
SCHEMBL13239889 0.81 MALT1 (0.46) PTGS1PTGS2POLBNPY5R
SCHEMBL13239891 0.81 BCL2 (0.42) PTGS1PTGS2MAPTBCL2MDM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US 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-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARD, PPARA PTGS1 343/4885PTGS2 669/4885MAPT 3248/4885

“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.