SCHEMBL3268767

SCHEMBL3268767

CCc1cc(S)ccc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GLA P06280 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
PTGDR Q13258 1/20 0.46
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.44
SRD5A2 P31213 1/20 0.43

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
SCHEMBL5415924 0.89 PPARG (0.49) PTGDR2MAPTL3MBTL1GLAMEN1
SCHEMBL3271015 0.84 LMNA (0.47) PTGDR2MAPTMEN1KMT2APTGDR
SCHEMBL3684907 0.83 ALDH1A1 (0.49) MAPTL3MBTL1MEN1KMT2ATDP1
SCHEMBL5404749 0.81 TSHR (0.58) PTGDR2MAPTL3MBTL1GLATSHR
SCHEMBL4655073 0.81 ELANE (0.56) PTGDR2MAPTL3MBTL1GLAMEN1
SCHEMBL16342279 0.81 PTGDR2 (0.60) PTGDR2MAPTL3MBTL1GLAMEN1
SCHEMBL2823002 0.81 PPARD (0.52) PTGDR2L3MBTL1GLATDP1TSHR
SCHEMBL14340636 0.80 MAPT (0.77) PTGDR2MAPTTDP1PTGDRTSHR
SCHEMBL3532387 0.80 POLB (0.62) PTGDR2L3MBTL1GLAMEN1KMT2A
SCHEMBL5699506 0.80 PTGDR2 (0.77) PTGDR2MAPTL3MBTL1GLATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558572-B1 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2010-06-30 EP disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
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-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 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
US-7129268-B2 Peroxisome proliferator activated receptor-active arylene acetic acid derivatives NOVO NORDISK A/S (DK) 2006-10-31 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1558572-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2005-08-03 EP 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-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions SMITHKLINE BEECHAM CORPORATION 2004-04-22 US 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-1368011-A1 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
WO-2002067912-A2 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES OR CONDITIONS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 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 (7 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD PTGDR2 319/4885MAPT 4866/4885L3MBTL1 4513/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA PTGDR2 65/4885MAPT 3498/4885L3MBTL1 4857/4885
US-20070072871-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS PPARD, PPARG, PPARA PTGDR2 365/4885MAPT 4713/4885L3MBTL1 4484/4885
US-20070225294-A1 THIAZOLE AND OXAZOLE DERIVATIVES AS ACTIVATORS OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS GPR119, PPARA, PPARG PTGDR2 412/4885MAPT 4805/4885L3MBTL1 2460/4885
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions PPARG, PPARA, PPARD PTGDR2 201/4885MAPT 3868/4885L3MBTL1 3453/4885
US-20040072838-A1 Thiazole and oxazole derivatives as activators of human peroxisome proliferator activated receptors PPARA, PPARG, PPARD PTGDR2 999/4885MAPT 4132/4885L3MBTL1 3527/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD PTGDR2 284/4885MAPT 4863/4885L3MBTL1 4519/4885

“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.