SCHEMBL3405671

SCHEMBL3405671

CC(C)(O)CC[CH]c1ccc(C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.44
PARP3 Q9Y6F1 1/20 0.44
ESRRG P62508 1/20 0.42
PARP4 Q9UKK3 2/20 0.42
PARP1 P09874 2/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KMT2A Q03164 2/20 0.37
F2 P00734 1/20 0.37
MEN1 O00255 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PLA2G10 O15496 1/20 0.36

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
SCHEMBL5330366 0.79 PARP10 (0.49) PARP10PARP3ESRRGPARP4PARP1
SCHEMBL14782316 0.77 PARP10 (0.50) PARP10PARP3ESRRGPARP4PARP1
SCHEMBL7523315 0.76 PARP10 (0.53) PARP10PARP3ESRRGPARP4PARP1
SCHEMBL9902871 0.74 PARP10 (0.55) PARP10PARP3PARP4PARP1CA2
SCHEMBL27687171 0.70 PARP10 (0.47) PARP10PARP3ESRRGPARP4PARP1
SCHEMBL317442 0.69 PARP10 (0.77) PARP10PARP3PARP4PARP1CA2
SCHEMBL15121658 0.68 PARP10 (0.49) PARP10PARP3PARP4CA2CA1
SCHEMBL13702630 0.68 PARP10 (0.57) PARP10PARP3ESRRGPARP4PARP1
SCHEMBL6090991 0.68 PARP10 (0.52) PARP10PARP3ESRRGPARP4PARP1
SCHEMBL11833372 0.67 CYP2C19 (0.58) PARP10PARP3PARP4PARP1CA2

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-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

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 PARP10 3239/4885PARP3 2741/4885ESRRG 1746/4885

“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.