SCHEMBL2000558

SCHEMBL2000558

COc1cccc2sc(Oc3cc(Cl)cc(NS(=O)(=O)c4cc(C)c(Cl)cc4Cl)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
ALPL P05186 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PPARG P37231 3/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B2 P37059 2/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HSD17B1 P14061 1/20 0.37

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
SCHEMBL2003942 0.92 PPARG (0.40) TP53ALPLLMNAMAPTTHRB
SCHEMBL1999994 0.92 FBP1 (0.41) TP53ALPLLMNAMAPTTHRB
SCHEMBL1998434 0.89 PPARG (0.49) TP53ALPLPPARGCYP3A4ALDH1A1
SCHEMBL2002325 0.89 ALPL (0.43) TP53ALPLLMNAMAPTTHRB
SCHEMBL1996552 0.85 PPARG (0.46) TP53ALPLLMNAMAPTPPARG
SCHEMBL2003335 0.83 TP53 (0.44) TP53LMNAMAPTTHRBPPARG
SCHEMBL2004311 0.83 PPARG (0.48) PPARGCYP3A4
SCHEMBL2004626 0.82 LMNA (0.41) TP53ALPLLMNAMAPTTHRB
SCHEMBL2001848 0.81 RORC (0.42) LMNAMAPTTHRBPPARGCYP3A4
SCHEMBL2005000 0.80 FSCN1 (0.44) LMNAMAPTTHRBPPARGCYP3A4

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 10 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
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 TP53 990/4885ALPL 2463/4885LMNA 3127/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD TP53 990/4885ALPL 2463/4885LMNA 3127/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD TP53 990/4885ALPL 2463/4885LMNA 3127/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD TP53 877/4885ALPL 2416/4885LMNA 3380/4885

“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.