SCHEMBL2168235

SCHEMBL2168235

COC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
NPC1 O15118 1/20 0.70
GAA P10253 1/20 0.70
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HSP90AA1 P07900 1/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
PPARA Q07869 11/20 0.57
NR1H4 Q96RI1 1/20 0.56
PPARD Q03181 3/20 0.55
PPARG P37231 3/20 0.55
CDC7 O00311 1/20 0.53
DBF4 Q9UBU7 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL8343878 0.88 PPARA (0.55) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL2886858 0.87 MAPT (0.80) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL4466321 0.86 ALDH1A1 (0.56) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL8341727 0.85 PPARA (0.62) ALDH1A1NPC1GAAKDM4EPPARA
SCHEMBL13407798 0.85 ALDH1A1 (0.81) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL981341 0.85 SMN1; SMN2 (0.71) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL4462657 0.85 ALDH1A1 (0.71) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL12402761 0.84 RAB9A (0.69) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL28297323 0.84 MEN1 (0.64) ALDH1A1NPC1GAAMEN1MAPT
SCHEMBL3054846 0.83 GAA (0.74) ALDH1A1NPC1GAAMEN1MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-28 US disclosed
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-28 US disclosed
US-7982050-B2 Process for preparing ligands of PPARdelta and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-19 US disclosed
US-7982050-B2 Process for preparing ligands of PPARdelta and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-19 US disclosed
US-7982050-B2 Process for preparing ligands of PPARdelta and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2011-07-19 US disclosed
EP-1501811-B1 PROCESS FOR PREPARING THIAZOLE DERIVATIVE AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NAT UNIV IND FOUNDATION (KR) 2009-07-15 EP disclosed
EP-1501811-B1 PROCESS FOR PREPARING THIAZOLE DERIVATIVE AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME SEOUL NAT UNIV IND FOUNDATION (KR) 2009-07-15 EP disclosed
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same Kang, Heon Joong (KR) 2009-05-07 US disclosed
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same Kang, Heon Joong (KR) 2009-05-07 US disclosed
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same Kang, Heon Joong (KR) 2009-05-07 US disclosed
US-20070179300-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-08-02 US disclosed
US-20070179300-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-08-02 US disclosed
US-7241901-B2 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-07-10 US disclosed
US-7241901-B2 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-07-10 US disclosed
US-7241901-B2 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-07-10 US disclosed
WO-2006121223-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME KANG HEON JOONG (KR) 2006-11-16 WO disclosed
EP-1501811-A4 PROCESS FOR PREPARING THIAZOLE DERIVATIVE AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME KANG HEONJOONG (KR) 2006-02-08 EP disclosed
US-20050176785-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2005-08-11 US disclosed
EP-1501811-A1 PROCESS FOR PREPARING THIAZOLE DERIVATIVE AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME Kang, Heonjoong (KR) 2005-02-02 EP disclosed
WO-2003106442-A1 PROCESS FOR PREPARING THIAZOLE DERIVATIVE AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME KANG HEONJOONG (KR) 2003-12-24 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-20070179300-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same PPARD, PPARG, PPARA ALDH1A1 816/4885NPC1 939/4885GAA 1661/4885
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME PPARG, PPARD, PPARA ALDH1A1 1346/4885NPC1 1035/4885GAA 1778/4885
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same PPARG, PPARD, PPARA ALDH1A1 1346/4885NPC1 1035/4885GAA 1778/4885
US-20050176785-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same PPARD, PPARG, PPARA ALDH1A1 816/4885NPC1 939/4885GAA 1661/4885

“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.