SCHEMBL13239882

SCHEMBL13239882

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 4/20 0.45
MALT1 Q9UDY8 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
PPARD Q03181 1/20 0.38
PTPN5 P54829 1/20 0.38
MDM2 Q00987 4/20 0.36
BCL2 P10415 3/20 0.35
MCL1 Q07820 3/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL13239892 0.90 HTR7 (0.43) PTGS2PTGS1SIGMAR1MDM2BCL2
SCHEMBL2949564 0.89 PTGS1 (0.42) PTGS2PTGS1PPARDMDM2BCL2
SCHEMBL13239889 0.87 MALT1 (0.46) PTGS2PTGS1MALT1CYP3A4CYP3A5
SCHEMBL13239893 0.82 MAPT (0.41) PTGS2PTGS1PPARDMDM2BCL2
SCHEMBL13239891 0.81 BCL2 (0.42) PTGS2PTGS1SIGMAR1CYP3A4MDM2
SCHEMBL27696188 0.80 PPARD (0.47) PTGS2PTGS1MALT1PPARD
SCHEMBL13239894 0.80 PPARD (0.41) PPARDMDM2BCL2MCL1
SCHEMBL13239845 0.79 PTGS2 (0.41) PTGS2PTGS1CYP3A4CYP3A5PPARD
SCHEMBL2945886 0.78 PTGS1 (0.42) PTGS2PTGS1PPARDMDM2BCL2
SCHEMBL13239883 0.77 MALT1 (0.44) PTGS2PTGS1MALT1SIGMAR1MDM2

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 4 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-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 PTGS2 669/4885PTGS1 343/4885MALT1 4260/4885

“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.