SCHEMBL2329569

SCHEMBL2329569

CCOP(=O)(O)CC(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.45
KCNK3 O14649 4/20 0.44
KCNK9 Q9NPC2 4/20 0.44
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 5/20 0.39
HCN1 O60741 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
OPRM1 P35372 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CLK1 P49759 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
SCHEMBL2325440 0.83 NPC1 (0.50) KCNK3KCNK9ALDH1A1
SCHEMBL2329563 0.80 KCNK3 (0.49) F2RKCNK3KCNK9HCRTR1HCRTR2
SCHEMBL2327750 0.79 NPC1 (0.45) ALDH1A1
SCHEMBL13780116 0.78 F2R (0.50) F2RKCNK3KCNK9HCRTR1HCRTR2
SCHEMBL1549244 0.77 KMT2A (0.48) ALDH1A1
SCHEMBL27775785 0.77 KCNK3 (0.46) F2RKCNK3KCNK9HCRTR1HCRTR2
SCHEMBL2322233 0.76 ERCC5 (0.44) ALDH1A1
SCHEMBL2325182 0.75 SLC6A2 (0.39) KCNK3KCNK9ALDH1A1
SCHEMBL1127848 0.73 TSHR (0.62) F2RKCNK3KCNK9HCRTR1HCRTR2
SCHEMBL1550118 0.73 EPHX2 (0.39) KCNK3KCNK9HCRTR1HCRTR2ALDH1A1

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-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 F2R 672/4885KCNK3 2881/4885KCNK9 3437/4885

“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.