SCHEMBL3372576

SCHEMBL3372576

O=Cc1ccc(OCc2ccccc2)c2ccsc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
CYP2A6 P11509 1/20 0.40
ERN1 O75460 2/20 0.39
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 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
SCHEMBL3374121 0.89 MAPT (0.48) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3269301 0.79 MAPT (0.59) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL29109138 0.77 CYP2A6 (0.38) MAPTL3MBTL1SMN1; SMN2CYP2A6ALDH1A1
SCHEMBL30193581 0.77 CYP2A6 (0.38) MAPTL3MBTL1SMN1; SMN2CYP2A6ALDH1A1
SCHEMBL3370910 0.77 NR1H4 (0.44) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL27252595 0.76 F9 (0.44) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL7070616 0.75 NPC1 (0.62) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL9472877 0.73 NPC1 (0.56) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL5839420 0.73 CCNB2 (0.51) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL22703473 0.72 RAB9A (0.42) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A

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 10 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-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 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
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR MAPT 4327/4885L3MBTL1 2050/4885SMN1; SMN2 2045/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG MAPT 4551/4885L3MBTL1 3686/4885SMN1; SMN2 4354/4885

“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.