SCHEMBL1008665

SCHEMBL1008665

CCC(CC)CC(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
ENPEP Q07075 1/20 0.39
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.37
FFAR3 O14843 1/20 0.35
RNPEP Q9H4A4 1/20 0.35

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
SCHEMBL27574336 0.87 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1ENPEPCHRM1
SCHEMBL7939626 0.85 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL28237219 0.85 CHRM1 (0.48) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL21269807 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL21269286 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
Magnesium SCHEMBL29456134 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL28875694 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL21269030 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL28314469 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL28315557 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1

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
CN-102007116-B Pyridazinone glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2014-10-22 CN disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
CN-102007116-A Pyridazinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
US-7060818-B2 Synthesis of macrocyclic tetraamido compounds and new metal insertion process CARNEGIE MELLON UNIVERSITY (US) 2006-06-13 US 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK SLC1A3 2766/4885SLC1A2 1961/4885SLC1A1 2613/4885

“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.