SCHEMBL3511752

SCHEMBL3511752

COC(C(=O)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.46
LPL P06858 8/20 0.46
P4HB P07237 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
F11 P03951 4/20 0.43
F2 P00734 3/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
ESR2 Q92731 1/20 0.43
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 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
SCHEMBL257880 0.80 LIPG (0.49) LIPGLPLP4HBCA1CA2
SCHEMBL1678838 0.80 LIPG (0.50) LIPGLPLP4HBCA1CA2
SCHEMBL25911590 0.78 LPL (0.47) LIPGLPLP4HBCA1CA2
SCHEMBL14447442 0.77 LPL (0.50) LIPGLPLP4HBCA1CA2
SCHEMBL4169646 0.76 HPGD (0.45) LIPGLPLP4HBCA1CA2
SCHEMBL1768087 0.76 LIPG (0.47) LIPGLPLP4HBCA1CA2
SCHEMBL16277969 0.76 CA1 (0.43) LIPGLPLP4HBCA1CA2
SCHEMBL3320459 0.76 LPL (0.49) LIPGLPLP4HBCA1CA2
SCHEMBL31353179 0.76 LPL (0.49) LIPGLPLP4HBCA1CA2
SCHEMBL16177602 0.76 LPL (0.49) LIPGLPLP4HBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB LIPG 597/4885LPL 647/4885P4HB 1582/4885

“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.