SCHEMBL1998434

SCHEMBL1998434

COc1cccc2sc(Oc3cc(Cl)cc(NS(=O)(=O)c4ccc(Cl)cc4Cl)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.49
CYP3A4 P08684 5/20 0.45
SLC40A1 Q9NP59 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
ALPL P05186 2/20 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
SCHEMBL2000513 0.91 PPARG (0.48) PPARGCYP3A4SLC40A1
SCHEMBL2001614 0.90 PPARG (0.50) PPARGCYP3A4SLC40A1ALDH1A1ALPL
SCHEMBL2004311 0.90 PPARG (0.48) PPARGCYP3A4SLC40A1
SCHEMBL1996552 0.90 PPARG (0.46) PPARGCYP3A4SLC40A1ALDH1A1TP53
SCHEMBL2000558 0.89 TP53 (0.41) PPARGCYP3A4ALDH1A1TP53ALPL
SCHEMBL2000672 0.83 PPARG (0.47) PPARGCYP3A4SLC40A1TP53
SCHEMBL2002384 0.82 PPARG (0.50) PPARGCYP3A4
SCHEMBL2004784 0.82 PPARG (0.50) PPARGCYP3A4
SCHEMBL1997437 0.81 PPARG (0.46) PPARGCYP3A4ALPL
SCHEMBL2003942 0.81 PPARG (0.40) PPARGCYP3A4TP53ALPL

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 9 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-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
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 (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 675/4885SLC40A1 4197/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARG 2/4885CYP3A4 675/4885SLC40A1 4197/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARG 1/4885CYP3A4 772/4885SLC40A1 3944/4885

“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.