SCHEMBL3527102

SCHEMBL3527102

Cn1c(C2CC2)c(C2CC2)c(=O)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.57
CYP3A4 P08684 2/20 0.57
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HCAR1 Q9BXC0 2/20 0.35
OPRL1 P41146 1/20 0.34
HTT P42858 1/20 0.34
RBP4 P02753 1/20 0.33

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
SCHEMBL3526821 0.96 HSD11B1 (0.54) HSD11B1CYP3A4TP53L3MBTL1ALDH1A1
SCHEMBL3526443 0.91 HSD11B1 (0.53) HSD11B1CYP3A4TP53L3MBTL1ALDH1A1
SCHEMBL3527054 0.89 HSD11B1 (0.59) HSD11B1CYP3A4TP53L3MBTL1ALDH1A1
SCHEMBL3528722 0.88 HSD11B1 (0.56) HSD11B1CYP3A4TP53L3MBTL1ALDH1A1
SCHEMBL3529008 0.88 HSD11B1 (0.59) HSD11B1CYP3A4TP53L3MBTL1ALDH1A1
SCHEMBL3527288 0.86 HSD11B1 (0.56) HSD11B1CYP3A4TP53L3MBTL1ALDH1A1
SCHEMBL3531172 0.86 HSD11B1 (0.50) HSD11B1CYP3A4L3MBTL1ALDH1A1TDP1
SCHEMBL3527399 0.84 HSD11B1 (0.43) HSD11B1CYP3A4HCAR1
SCHEMBL3527170 0.84 HSD11B1 (0.46) HSD11B1CYP3A4TP53L3MBTL1ALDH1A1
SCHEMBL3528469 0.82 HSD11B1 (0.45) HSD11B1CYP3A4TP53ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 HSD11B1 1/4885CYP3A4 45/4885TP53 3775/4885

“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.