SCHEMBL3373090

SCHEMBL3373090

CCOC(Cc1ccc(O)c2c1CCCC2)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.36
HSD11B1 P28845 1/20 0.35
HSD17B2 P37059 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.33
PPARA Q07869 2/20 0.33
TP53 P04637 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LCK P06239 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5762437 0.91 KMT2A (0.35) NLRP3HPGDHSD17B10MAPK1TDP1
SCHEMBL6451333 0.87 PPARA (0.46) PPARA
SCHEMBL15807576 0.80 NLRP3 (0.38) NLRP3HSD11B1HSD17B2HPGDHSD17B10
SCHEMBL15808090 0.79 NLRP3 (0.47) NLRP3HSD11B1HSD17B2ESR1ESR2
SCHEMBL5017407 0.75 NR3C1 (0.43) HPGDTDP1ESR1ESR2MIF
SCHEMBL3371001 0.75 NR3C1 (0.43) HPGDTDP1ESR1ESR2MIF
SCHEMBL3372556 0.73 KCNA3 (0.33) MMP1MMP2MMP3MMP9MMP12
SCHEMBL3402960 0.73 ESR1 (0.39) HPGDHSD17B10PPARATP53ESR1
SCHEMBL3372979 0.73 ESR1 (0.39) HPGDHSD17B10PPARATP53ESR1
SCHEMBL15804498 0.73 HSD11B1 (0.36) NLRP3HSD11B1HSD17B2HSD17B10TDP1

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 NLRP3 1653/4885HSD11B1 82/4885HSD17B2 260/4885

“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.