SCHEMBL1997108

SCHEMBL1997108

CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc(Oc2nc3cc(Cl)ccc3s2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
PTGDR2 Q9Y5Y4 13/20 0.51
CYP3A4 P08684 2/20 0.42
PTGDR Q13258 10/20 0.42
ALPL P05186 1/20 0.41
EPHX2 P34913 1/20 0.39
DDR1 Q08345 1/20 0.39

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
SCHEMBL1995134 0.92 PTGDR2 (0.49) PPARGPTGDR2CYP3A4PTGDRALPL
SCHEMBL1996544 0.88 PPARG (0.51) PPARGCYP3A4EPHX2
SCHEMBL2001910 0.86 PTGDR2 (0.49) PPARGPTGDR2CYP3A4PTGDRALPL
SCHEMBL2001225 0.86 PPARG (0.49) PPARGPTGDR2CYP3A4EPHX2
SCHEMBL1997363 0.81 PPARG (0.49) PPARGPTGDR2CYP3A4
SCHEMBL1998221 0.79 PPARG (0.49) PPARGCYP3A4
SCHEMBL2003174 0.79 PPARG (0.46) PPARGPTGDR2CYP3A4EPHX2
SCHEMBL1998403 0.79 PTGDR2 (0.45) PPARGPTGDR2CYP3A4ALPLEPHX2
SCHEMBL1994385 0.78 PPARG (0.49) PPARGCYP3A4
SCHEMBL2002384 0.77 PPARG (0.50) PPARGCYP3A4

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
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 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 (4 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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885PTGDR2 814/4885CYP3A4 675/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885PTGDR2 814/4885CYP3A4 675/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885PTGDR2 814/4885CYP3A4 675/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885PTGDR2 916/4885CYP3A4 772/4885

“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.