SCHEMBL2948230

SCHEMBL2948230

COc1ccc(-c2nc(CCl)cn2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.54
PTGS1 P23219 2/20 0.54
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42
NPBWR1 P48145 2/20 0.41
PTPN11 Q06124 1/20 0.40

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
SCHEMBL13239851 1.00 PTGS2 (0.54) PTGS2PTGS1GABRA2GABRB2KDM4E
SCHEMBL13239853 0.89 PTGS2 (0.50) PTGS2PTGS1GABRA2GABRB2KDM4E
SCHEMBL13239846 0.89 PTGS2 (0.50) PTGS2PTGS1GABRA2GABRB2KDM4E
SCHEMBL5514584 0.88 PTGS2 (0.54) PTGS2PTGS1GABRA2GABRB2PTPN11
SCHEMBL13239848 0.88 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL13239845 0.87 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL13239849 0.85 PTGS2 (0.52) PTGS2PTGS1KDM4E
SCHEMBL13239856 0.82 PTGS2 (0.44) PTGS2PTGS1GABRA2GABRB2
SCHEMBL5424741 0.78 PTGS2 (0.56) PTGS2PTGS1GABRA2GABRB2KDM4E
SCHEMBL13239855 0.77 PTGS2 (0.41) PTGS2PTGS1GABRA2GABRB2

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 8 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
EP-1843763-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-10-17 EP disclosed
WO-2006084176-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2006-08-10 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 (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 343/4885GABRA2 611/4885

“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.