SCHEMBL2166533

SCHEMBL2166533

Cc1nc(-c2ccccc2C(F)(F)F)sc1CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
HSD11B1 P28845 7/20 0.43
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
RECQL P46063 1/20 0.38
TRPA1 O75762 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
SCHEMBL2166493 0.85 HSD11B1 (0.43) TP53HSD11B1PPARDPPARACYP1A2
SCHEMBL6621280 0.82 CTSK (0.42) TP53HSD11B1PPARDPPARATRPA1
SCHEMBL5017179 0.82 TP53 (0.38) TP53PPARDPPARACYP3A4ALDH1A1
SCHEMBL4011426 0.78 HTR2C (0.52) ALDH1A1ALOX15HSD17B10
SCHEMBL280301 0.77 TP53 (0.44) TP53HSD11B1PPARDPPARACYP1A2
SCHEMBL14017886 0.75 MPL (0.43) HSD11B1PPARDPPARAALDH1A1MPL
SCHEMBL21879813 0.75 PPARD (0.54) TP53PPARDPPARACYP3A4ALDH1A1
SCHEMBL264117 0.75 TP53 (0.42) TP53HSD11B1PPARDPPARAF2RL3
SCHEMBL977726 0.75 MAPT (0.59) PPARDPPARAALDH1A1NPC1MAPT
SCHEMBL2413521 0.74 SMN1; SMN2 (0.51) TP53PPARDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431715-B2 Thiazole compound (as PPARδ) ligand and pharmaceutical, cosmetic and health food comprised thereof SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2013-04-30 US disclosed
US-8236831-B2 Thiazole compound (as PPARδ) ligand and pharmaceutical, cosmetic and health food comprised thereof SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2012-08-07 US disclosed
US-20120197024-A1 Thiazole Compound (as PPAR delta) Ligand and Pharmaceutical, Cosmetic and Health Food Comprised Thereof SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2012-08-02 US disclosed
EP-1841748-B1 ORGANOSELENIUM CONTAINING COMPOUNDS AND THEIR USE SEOUL NAT UNIV IND FOUNDATION (KR) 2011-12-28 EP 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-20100041723-A1 Thiazole Compound (as PPAR delta) Ligand and Pharmaceutical, Cosmetic and Health Food Comprised Thereof SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2010-02-18 US disclosed
EP-2104666-A1 THIAZOLE COMPOUND (AS PPARdelta) LIGAND AND PHARMACEUTICAL, COSMETIC AND HEALTH FOOD COMPRISED THEREOF Seoul National University Industry Foundation (KR) 2009-09-30 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-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
WO-2006091047-A1 THIAZOLE DERIVATIVES AS PPAR DELTA LIGANDS AND THEIR MANUFACTURING PROCESS KANG HEONJOONG (KR) 2006-08-31 WO disclosed
WO-2006071103-A1 ORGANOSELENIUM CONTAINING COMPOUNDS AND THEIR USE KANG HEONJOONG (KR) 2006-07-06 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
CN-1649854-A Process for preparing thiazole derivative and the intermediate compounds for preparing the same HEONJOONG KANG (KR) 2005-08-03 CN 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
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US 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 (6 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-20100041723-A1 Thiazole Compound (as PPAR delta) Ligand and Pharmaceutical, Cosmetic and Health Food Comprised Thereof PPARD, PPARG, PPARA TP53 480/4885HSD11B1 262/4885PPARD 1/4885
US-20110184186-A1 PROCESS FOR PREPARING LIGANDS OF PPARDELTA AND THE INTERMEDIATE COMPOUNDS FOR PREPARING THE SAME PPARG, PPARD, PPARA TP53 1473/4885HSD11B1 23/4885PPARD 2/4885
US-20120197024-A1 Thiazole Compound (as PPAR delta) Ligand and Pharmaceutical, Cosmetic and Health Food Comprised Thereof PPARD, PPARG, PPARA TP53 480/4885HSD11B1 262/4885PPARD 1/4885
US-20090118516-A1 Process for preparing ligands of ppardelta and the intermediate compounds for preparing the same PPARG, PPARD, PPARA TP53 1473/4885HSD11B1 23/4885PPARD 2/4885
US-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD TP53 1741/4885HSD11B1 888/4885PPARD 290/4885
US-20050176785-A1 Process for preparing thiazole derivative and the intermediate compounds for preparing the same PPARD, PPARG, PPARA TP53 1164/4885HSD11B1 8/4885PPARD 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.