SCHEMBL2329563

SCHEMBL2329563

COP(=O)(CC(=O)c1ccccc1OC(F)(F)F)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.49
KCNK9 Q9NPC2 4/20 0.49
F2R P25116 1/20 0.44
HCN1 O60741 1/20 0.41
CLK1 P49759 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PNLIP P16233 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 1/20 0.39
OPRM1 P35372 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
CTSD P07339 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL2325431 0.83 CTSD (0.56) KCNK3KCNK9ALDH1A1L3MBTL1NPC1
SCHEMBL2329569 0.80 F2R (0.45) KCNK3KCNK9F2RHCN1CLK1
SCHEMBL13780116 0.79 F2R (0.50) KCNK3KCNK9F2RHCN1CYP11B1
SCHEMBL17290235 0.78 KCNK3 (0.52) KCNK3KCNK9F2RHCN1CLK1
SCHEMBL2327743 0.77 PTPN1 (0.47) ALDH1A1L3MBTL1NPC1LMNAPOLB
SCHEMBL27775785 0.77 KCNK3 (0.46) KCNK3KCNK9F2RHCN1CLK1
SCHEMBL2292694 0.76 SGMS2 (0.55) ALDH1A1L3MBTL1NPC1LMNA
SCHEMBL29268934 0.75 KCNK3 (0.46) KCNK3KCNK9F2RHCN1ALDH1A1
SCHEMBL29585736 0.75 PTPN1 (0.46) KCNK3KCNK9F2RHCN1RXFP1
SCHEMBL2098762 0.75 PTPN1 (0.46) KCNK3KCNK9F2RHCN1RXFP1

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 KCNK3 2881/4885KCNK9 3437/4885F2R 672/4885

“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.