SCHEMBL5449774

SCHEMBL5449774

COC(=O)C=C(C)c1ccc(OC(=S)N(C)C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
BACE1 P56817 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 2/20 0.40
NQO2 P16083 2/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL7976202 0.83 L3MBTL1 (0.59) CYP2C9CYP2C19ALDH1A1HPGDBACE1
SCHEMBL20223086 0.77 ALDH1A1 (0.55) CYP2C9CYP2C19ALDH1A1HPGDBACE1
SCHEMBL30037363 0.76 MAPT (0.63) CYP2C9CYP2C19ALDH1A1HPGDBACE1
SCHEMBL3546502 0.76 MAPT (0.63) CYP2C9CYP2C19ALDH1A1HPGDBACE1
SCHEMBL29594225 0.76 MAPT (0.58) CYP2C9CYP2C19ALDH1A1HPGDBACE1
SCHEMBL21385340 0.76 MAPT (0.58) CYP2C9CYP2C19ALDH1A1HPGDBACE1
SCHEMBL5487552 0.75 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5487560 0.75 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL23789460 0.72 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4677215 0.72 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10L3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP 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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA PDE4A 1987/4885PDE4B 2346/4885PDE4C 3250/4885

“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.