SCHEMBL1997495

SCHEMBL1997495

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.45
PPARA Q07869 4/20 0.43
CTSD P07339 1/20 0.41
SENP7 Q9BQF6 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
P2RX3 P56373 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DYRK1A Q13627 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL2002719 0.96 AGPAT2 (0.47) AGPAT2PPARACTSDSENP7CASP3
SCHEMBL2001470 0.92 DYRK1A (0.44) PPARACTSDSENP7CASP3SENP8
SCHEMBL12568203 0.90 CTSD (0.52) PPARACTSDLCK
SCHEMBL2000542 0.89 PPARA (0.44) AGPAT2PPARACTSDDYRK1ALCK
SCHEMBL2005135 0.86 LRRK2 (0.43) CTSDP2RX3DYRK1ALCK
SCHEMBL1999579 0.86 LCK (0.44) CTSDP2RX3DYRK1ALCK
SCHEMBL1999982 0.85 NPC1 (0.45) CTSDHDAC6DYRK1A
SCHEMBL2000936 0.82 LCK (0.42) AGPAT2CTSDLCK
SCHEMBL18580398 0.81 CTSD (0.49) PPARACTSDSENP7CASP3SENP8
SCHEMBL2003618 0.81 AGPAT2 (0.46) AGPAT2CTSDLCK

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 AGPAT2 446/4885PPARA 1/4885CTSD 3410/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD AGPAT2 446/4885PPARA 1/4885CTSD 3410/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD AGPAT2 446/4885PPARA 1/4885CTSD 3410/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD AGPAT2 425/4885PPARA 2/4885CTSD 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.