SCHEMBL1997872

SCHEMBL1997872

O=S(=O)(Nc1cc(Cl)cc(Oc2nc3cc(-c4nnn[nH]4)ccc3s2)c1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
CYP3A4 P08684 2/20 0.42
SGK1 O00141 7/20 0.41
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
EPHX2 P34913 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PFKFB3 Q16875 1/20 0.33
PFKFB4 Q16877 1/20 0.32

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
SCHEMBL2001225 0.86 PPARG (0.49) PPARGCYP3A4SGK1PTGDR2EPHX2
SCHEMBL1996544 0.82 PPARG (0.51) PPARGCYP3A4SGK1EPHX2TRPV1
SCHEMBL2003174 0.82 PPARG (0.46) PPARGCYP3A4SGK1PTGDR2EPHX2
SCHEMBL2035186 0.81 SGK1 (0.42) PPARGCYP3A4SGK1LMNATRPV1
SCHEMBL1997363 0.81 PPARG (0.49) PPARGCYP3A4SGK1PTGDR2
SCHEMBL2002294 0.80 PPARG (0.49) PPARGCYP3A4SGK1PTGDR2EPHX2
SCHEMBL2000221 0.79 PPARG (0.47) PPARGCYP3A4SGK1LMNAPTGDR2
SCHEMBL2029584 0.79 SGK1 (0.43) PPARGCYP3A4SGK1LMNATRPV1
SCHEMBL2003082 0.78 PPARG (0.47) PPARGCYP3A4LMNAPTGDR2EPHX2
SCHEMBL4368057 0.78 SGK1 (0.39) PPARGCYP3A4SGK1LMNA

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 14 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-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-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
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
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 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 (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 2/4885CYP3A4 675/4885SGK1 4587/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885SGK1 4587/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885SGK1 4587/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885SGK1 4091/4885

“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.