SCHEMBL5759561

SCHEMBL5759561

C=CCC(NC(=O)c1ccc(OC)cc1)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
TAS1R3 Q7RTX0 2/20 0.52
TAS1R1 Q7RTX1 2/20 0.52
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
PLK1 P53350 1/20 0.47
CYP3A4 P08684 1/20 0.47
F10 P00742 2/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL5761847 0.89 PKM (0.57) PKMTAS1R3TAS1R1CA2CA1
SCHEMBL5760015 0.85 PKM (0.53) PKMTAS1R3TAS1R1CA2CA1
SCHEMBL5727358 0.82 ALDH1A1 (0.46) ALDH1A1LMNACTSLCTSSCTSK
SCHEMBL2782642 0.74 TAS1R3 (0.54) TAS1R3TAS1R1ALDH1A1LMNACTSL
SCHEMBL8232716 0.74 TAS1R3 (0.54) TAS1R3TAS1R1ALDH1A1LMNACTSL
SCHEMBL714529 0.74 TAS1R3 (0.54) TAS1R3TAS1R1ALDH1A1LMNACTSL
SCHEMBL9829566 0.74 CA2 (0.63) TAS1R3TAS1R1CA2CA1ALDH1A1
SCHEMBL9829563 0.74 CA2 (0.63) TAS1R3TAS1R1CA2CA1ALDH1A1
SCHEMBL8330051 0.73 CA1 (0.66) TAS1R3TAS1R1CA2CA1ALDH1A1
SCHEMBL13113851 0.73 PKM (1.00) PKMCA2CA1ALDH1A1LMNA

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-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-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 (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-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG PKM 946/4885TAS1R3 1796/4885TAS1R1 1845/4885

“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.