SCHEMBL2000542

SCHEMBL2000542

CC(C)(C)OC(=O)Nc1cc(Cl)cc(Oc2nc3cc(C#N)ccc3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
EGLN2 Q96KS0 3/20 0.41
CTSD P07339 1/20 0.38
DYRK1A Q13627 2/20 0.36
AGPAT2 O15120 3/20 0.36
CETP P11597 2/20 0.34
ALOX5 P09917 1/20 0.34
EPHX2 P34913 1/20 0.34
LCK P06239 2/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL1997495 0.89 AGPAT2 (0.45) PPARACTSDDYRK1AAGPAT2LCK
SCHEMBL12568203 0.85 CTSD (0.52) PPARACTSDALOX5EPHX2LCK
SCHEMBL2002719 0.85 AGPAT2 (0.47) PPARACTSDDYRK1AAGPAT2LCK
SCHEMBL2001470 0.83 DYRK1A (0.44) PPARACTSDDYRK1ALCK
SCHEMBL2005135 0.81 LRRK2 (0.43) CTSDDYRK1AEPHX2LCK
SCHEMBL1999579 0.81 LCK (0.44) CTSDDYRK1ALCK
SCHEMBL1999982 0.80 NPC1 (0.45) CTSDDYRK1A
SCHEMBL2000936 0.77 LCK (0.42) CTSDAGPAT2ALOX5EPHX2LCK
SCHEMBL2003618 0.77 AGPAT2 (0.46) CTSDAGPAT2ALOX5EPHX2LCK
SCHEMBL2000055 0.76 NPC1 (0.48) LCK

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 PPARA 1/4885EGLN2 2287/4885CTSD 3410/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARA 1/4885EGLN2 2287/4885CTSD 3410/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARA 1/4885EGLN2 2287/4885CTSD 3410/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARA 2/4885EGLN2 2280/4885CTSD 3188/4885

“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.