SCHEMBL4807044

SCHEMBL4807044

COc1cccc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3CCc3ccc(O)c(C)c3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 1/20 0.45
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ABCB1 P08183 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRPK1 Q96SB4 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL4810130 0.92 PPARD (0.44) LMNATP53PPARGPPARDPPARA
SCHEMBL4523286 0.89 CACNA1G (0.42) CACNA1GKCNH2LMNATP53GAA
SCHEMBL4803826 0.86 PPARA (0.59) PPARGPPARDPPARA
SCHEMBL4807349 0.86 PPARD (0.43) PPARGPPARDPPARAMAPT
SCHEMBL4810740 0.84 PPARD (0.45) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL4498481 0.81 POLB (0.44) LMNATP53GAAPPARGPPARD
SCHEMBL4520889 0.80 MAPT (0.46) LMNAPPARGPPARDPPARAKDM4E
SCHEMBL4523435 0.79 STAT3 (0.46) CACNA1GKCNH2TP53PPARGPPARD
SCHEMBL4807084 0.79 PPARD (0.46) LMNAPPARGPPARDPPARAMAPT
SCHEMBL4811046 0.79 PPARA (0.65) PPARGPPARDPPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449468-B2 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2008-11-11 US disclosed
US-20070225294-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS BANKER PIERETTE 2007-09-27 US disclosed
US-7229998-B2 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2007-06-12 US disclosed
US-20070072871-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS BANKER PIERETTE 2007-03-29 US disclosed
EP-1349843-B1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-04-20 EP disclosed
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION 2004-04-15 US disclosed
EP-1349843-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2003-10-08 EP disclosed
WO-2002059098-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GLAXO GROUP LIMITED (GB) 2002-08-01 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 (3 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-20070072871-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS PPARD, PPARG, PPARA CACNA1G 4495/4885KCNH2 4732/4885LMNA 3438/4885
US-20070225294-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GPR119, PPARA, PPARG CACNA1G 4351/4885KCNH2 4071/4885LMNA 2894/4885
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors PPARA, PPARG, PPARD CACNA1G 3720/4885KCNH2 4172/4885LMNA 3578/4885

“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.