SCHEMBL2166493

SCHEMBL2166493

Cc1nc(-c2ccccc2C(F)(F)F)sc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.43
TP53 P04637 1/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.38
TRPA1 O75762 2/20 0.38
RECQL P46063 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MPL P40238 1/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 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
SCHEMBL2166533 0.85 TP53 (0.45) HSD11B1TP53PPARDPPARACYP1A2
SCHEMBL280301 0.77 TP53 (0.44) HSD11B1TP53PPARDPPARACYP1A2
SCHEMBL264117 0.75 TP53 (0.42) HSD11B1TP53PPARDPPARAF2RL3
SCHEMBL1553917 0.75 NPC1 (0.54) PPARDPPARAALDH1A1NPC1
SCHEMBL379217 0.74 SMN1; SMN2 (0.51) TP53PPARDALDH1A1TRPM8NPC1
SCHEMBL2309205 0.73 ALDH1A1 (0.60) PPARDPPARACYP1A2CYP3A4CYP2C19
SCHEMBL3965973 0.73 PPARD (0.41) HSD11B1TP53PPARDPPARACYP3A4
SCHEMBL2448126 0.73 HSD11B1 (0.45) HSD11B1ALDH1A1
SCHEMBL2166925 0.72 PPARD (0.50) HSD11B1TP53PPARDPPARACYP3A4
SCHEMBL2463067 0.72 HSD11B1 (0.39) HSD11B1PPARDPPARACYP1A2CYP3A4

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 11 patents. 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-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
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-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 HSD11B1 8/4885TP53 1164/4885PPARD 1/4885
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME PPARG, PPARD, PPARA HSD11B1 23/4885TP53 1473/4885PPARD 2/4885
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same PPARG, PPARD, PPARA HSD11B1 23/4885TP53 1473/4885PPARD 2/4885
US-20050176785-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same PPARD, PPARG, PPARA HSD11B1 8/4885TP53 1164/4885PPARD 1/4885

“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.