SCHEMBL3372091

SCHEMBL3372091

OCc1cnc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B13 Q7Z5P4 2/20 0.39
KIF11 P52732 2/20 0.39
PRMT5 O14744 1/20 0.39
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL5691394 0.88 PPARD (0.46) PPARDKDM4EMEN1HSP90AA1MAPT
SCHEMBL15109598 0.84 PPARD (0.45) PPARDNPC1ALDH1A1GAAKIF11
SCHEMBL1773971 0.84 RAB9A (0.45) PPARDKDM4EMEN1MAPTKMT2A
SCHEMBL3370403 0.84 PPARD (0.45) PPARDKDM4EMEN1HSP90AA1MAPT
SCHEMBL2096650 0.84 PPARD (0.47) PPARDKDM4EMEN1HSP90AA1MAPT
SCHEMBL1198984 0.82 SCN2A (0.47) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL18975046 0.81 PTPN11 (0.43) KDM4EMAPTNPC1ALDH1A1HDAC1
SCHEMBL5692060 0.81 PPARD (0.43) PPARDKDM4EMEN1HSP90AA1MAPT
SCHEMBL15104623 0.80 HDAC3 (0.47) HDAC1HDAC6HDAC2
SCHEMBL17873453 0.80 PPARD (0.43) PPARDKDM4EMEN1HSP90AA1MAPT

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 21 patents — showing the first 20. 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
CN-1816550-B Indolyl derivatives substituted with a thiazole ring and their use as PPAR modulators HOFFMANN LA ROCHE 2010-04-28 CN disclosed
CN-100475810-C Novel 2-arylthiazole compounds as pparalpha and ppargamma agonists HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
US-7439259-B2 Thiazole derivatives for treating PPAR related disorders SMITHKLINE BEECHAM CORPORATION (US) 2008-10-21 US disclosed
US-7439259-B2 Thiazole derivatives for treating PPAR related disorders SMITHKLINE BEECHAM CORPORATION (US) 2008-10-21 US disclosed
EP-1644368-B1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
CN-1816550-A Indolyl derivatives substituted with a thiazole ring and their use as ppar modulators HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
CN-1809541-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2006-07-26 CN disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
CN-1678596-A Novel 2-arylthiazole compounds as PPAR alpha and PPAR gamma agonists HOFFMANN LA ROCHE (CH) 2005-10-05 CN disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 US disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 US 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 (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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG PPARD 2/4885KDM4E 2530/4885MEN1 4569/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR PPARD 79/4885KDM4E 3260/4885MEN1 623/4885
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARD 1/4885KDM4E 1998/4885MEN1 3902/4885

“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.