SCHEMBL4808359

SCHEMBL4808359

COc1ccc(N2CCN(Cc3nc(-c4ccccc4)sc3CSc3ccc(OCC(=O)O)cc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
MCL1 Q07820 1/20 0.47
MAPK1 P28482 2/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL4813620 0.91 PPARD (0.53) USP2MAPTALDH1A1KMT2AMEN1
SCHEMBL4808683 0.91 PPARD (0.51) HTR1A
SCHEMBL4801203 0.87 USP2 (0.47) USP2MCL1MAPK1MAPTLMNA
SCHEMBL4809132 0.87 PPARA (0.48) USP2MCL1MAPK1MAPTLMNA
SCHEMBL4886831 0.84 USP2 (0.44) USP2MCL1MAPK1MAPTLMNA
SCHEMBL4808769 0.84 USP2 (0.44) USP2MCL1MAPK1MAPTLMNA
SCHEMBL4808025 0.82 PPARD (0.65) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL2117360 0.82 PPARD (0.54) MAPTALDH1A1KMT2AMEN1PTGDR2
SCHEMBL5416881 0.82 USP2 (0.45) USP2MCL1MAPK1MAPTLMNA
SCHEMBL4802632 0.81 PPARD (0.53) MAPTALDH1A1KMT2AMEN1PTGDR2

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 7 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-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 USP2 4555/4885MCL1 2516/4885MAPK1 2381/4885
US-20070225294-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GPR119, PPARA, PPARG USP2 4403/4885MCL1 4207/4885MAPK1 1868/4885
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors PPARA, PPARG, PPARD USP2 4672/4885MCL1 3680/4885MAPK1 1097/4885

“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.