SCHEMBL3373546

SCHEMBL3373546

CCOC(=O)C(Cc1ccc(OCc2sc(-c3ccc(Cl)cc3Cl)nc2C)cc1C)OCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PPARD Q03181 10/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
FFAR2 O15552 1/20 0.42
FFAR1 O14842 9/20 0.40
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.36
SHMT1 P34896 1/20 0.36
SHMT2 P34897 1/20 0.36

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
SCHEMBL3368810 0.93 PPARD (0.44) MAPTKDM4EPPARDPPARGPPARA
SCHEMBL3375724 0.91 FFAR2 (0.51) PPARDPPARGPPARAFFAR2FFAR1
SCHEMBL3368900 0.89 PPARD (0.52) MAPTPPARDPPARGPPARAFFAR1
SCHEMBL3369392 0.85 PPARD (0.49) PPARDPPARGPPARAFFAR1
SCHEMBL3369128 0.84 FFAR2 (0.53) PPARDPPARGPPARAFFAR2FFAR1
SCHEMBL3371598 0.84 PPARD (0.59) PPARDPPARGPPARAFFAR1
SCHEMBL3371978 0.83 FFAR2 (0.43) MAPTKDM4EPPARDPPARGPPARA
SCHEMBL3371369 0.82 PPARD (0.54) PPARDPPARGPPARAFFAR1CYP2C9
SCHEMBL3370886 0.81 PTPN1 (0.51) MAPTPPARDPPARGPPARAFFAR1
SCHEMBL3372506 0.80 PPARD (0.49) MAPTKDM4EPPARDPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 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 (1 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-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR MAPT 4327/4885KDM4E 3260/4885PPARD 79/4885

“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.