SCHEMBL3370403

SCHEMBL3370403

FC(F)(F)c1ccc(-c2ncc(CCl)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.45
KIF11 P52732 4/20 0.39
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37
QPCT Q16769 2/20 0.37
QPCTL Q9NXS2 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 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
SCHEMBL5692060 0.88 PPARD (0.43) PPARDKIF11DYRK1ADYRK2NPC1
SCHEMBL15109598 0.84 PPARD (0.45) PPARDKIF11NPC1ALDH1A1GAA
SCHEMBL2096650 0.84 PPARD (0.47) PPARDKIF11NPC1ALDH1A1GAA
SCHEMBL3372091 0.84 PPARD (0.47) PPARDKIF11DYRK1ADYRK2NPC1
SCHEMBL2431804 0.84 HSD17B13 (0.46) PPARDDYRK1AALDH1A1CDK2HSD17B13
SCHEMBL2428321 0.82 SCN2A (0.47) DYRK1ADYRK2ALDH1A1GAACDK2
SCHEMBL5691394 0.81 PPARD (0.46) PPARDKIF11DYRK1ADYRK2NPC1
SCHEMBL17873453 0.80 PPARD (0.43) PPARDKIF11NPC1ALDH1A1GAA
SCHEMBL2762765 0.80 SMN1; SMN2 (0.49) NPC1ALDH1A1GAAKDM4EMEN1
SCHEMBL21753345 0.78 CYP11B1 (0.47) NPC1ALDH1A1GAAQPCTKDM4E

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 12 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
CN-100475810-C Novel 2-arylthiazole compounds as pparalpha and ppargamma agonists HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US 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-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 (2 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 2/4885KIF11 3064/4885DYRK1A 3097/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR PPARD 79/4885KIF11 3713/4885DYRK1A 2595/4885

“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.