SCHEMBL3411342

SCHEMBL3411342

[CH2]C#CC(O)CCCCO

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4518452 0.76 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL31540579 0.70
SCHEMBL10470015 0.68 USP2 (0.36) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL28207726 0.68 USP2 (0.36) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL6849064 0.68 LMNA (0.32) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4524989 0.68
SCHEMBL1397647 0.67
SCHEMBL3388566 0.66
SCHEMBL3399170 0.64 TRPV1 (0.41) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1
SCHEMBL656499 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP claimed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP claimed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO claimed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US claimed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 SMN1; SMN2 4412/4885LMNA 4599/4885ALDH1A1 1567/4885

“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.