SCHEMBL3370462

SCHEMBL3370462

Cc1sc(-c2ccc(C(C)(C)C)cc2)nc1CCCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL3368282 0.92 MAPT (0.46) MAPTTNFNOD1PPARAKDM4E
SCHEMBL4466375 0.88 NPC1 (0.47) MAPTPPARAKDM4ENPC1ALDH1A1
SCHEMBL4902362 0.83 TNF (0.46) MAPTTNFNOD1PPARAKDM4E
SCHEMBL202382 0.82 RARA (0.48) MAPTPPARAALDH1A1
SCHEMBL968444 0.79 NPC1 (0.49) MAPTPPARAKDM4ENPC1ALDH1A1
SCHEMBL3372159 0.78 MAPT (0.43) MAPTTNFNOD1PPARAKDM4E
SCHEMBL820915 0.76 PPARA (0.49) PPARAKDM4ERAB9A
SCHEMBL7922445 0.75 MEN1 (0.45) MAPTPPARAKDM4EALDH1A1
SCHEMBL5263253 0.75 MAPT (0.41) MAPTTNFNOD1PPARAKDM4E
SCHEMBL4906319 0.74 MAPT (0.49) MAPTTNFNOD1KDM4ENPC1

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 4327/4885TNF 3441/4885NOD1 75/4885

“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.