SCHEMBL2000672

SCHEMBL2000672

COc1ccc2nc(Oc3cc(Cl)cc(NS(=O)(=O)c4ccc(Cl)cc4Cl)c3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.47
CYP3A4 P08684 4/20 0.47
TP53 P04637 1/20 0.46
FBP1 P09467 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43
CTSD P07339 1/20 0.42

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
SCHEMBL2004784 0.92 PPARG (0.50) PPARGCYP3A4
SCHEMBL2003778 0.90 PPARG (0.48) PPARGCYP3A4
SCHEMBL2003082 0.90 PPARG (0.47) PPARGCYP3A4TP53CTSD
SCHEMBL2003335 0.89 TP53 (0.44) PPARGCYP3A4TP53FBP1CTSD
SCHEMBL1996053 0.89 PPARG (0.48) PPARGCYP3A4
SCHEMBL2002384 0.86 PPARG (0.50) PPARGCYP3A4
SCHEMBL1997363 0.84 PPARG (0.49) PPARGCYP3A4
SCHEMBL2000246 0.83 TP53 (0.61) TP53
SCHEMBL13586910 0.83 PPARG (0.47) PPARGCYP3A4
SCHEMBL1998434 0.83 PPARG (0.49) PPARGCYP3A4TP53SLC40A1

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 7 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-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
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-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 (3 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 675/4885TP53 990/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885TP53 990/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885TP53 877/4885

“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.