SCHEMBL3531070

SCHEMBL3531070

CC(C)c1c(COc2ccc(F)cc2)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PTGS2 P35354 4/20 0.53
LMNA P02545 3/20 0.52
ADORA3 P0DMS8 1/20 0.52
NR1I2 O75469 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL3528347 0.88 PTGS2 (0.53) MEN1KMT2APTGS2LMNAADORA3
SCHEMBL3527014 0.82 PTGS2 (0.55) MEN1KMT2APTGS2LMNAADORA3
SCHEMBL3527994 0.80 LMNA (0.60) MEN1KMT2APTGS2LMNAADORA3
SCHEMBL3528656 0.79 HSD11B1 (0.41) MEN1KMT2AALDH1A1MAPTNOX4
SCHEMBL11287540 0.78 LMNA (0.65) MEN1KMT2APTGS2LMNAADORA3
SCHEMBL3528048 0.76 PTGS2 (0.51) KMT2APTGS2LMNAADORA3NR1I2
SCHEMBL3526669 0.75 LMNA (0.65) MEN1KMT2APTGS2LMNAADORA3
SCHEMBL3530750 0.72 MCHR1 (0.38) POLBALDH1A1MAPTNOX4
Propyphenazone SCHEMBL23393 0.70 LMNA (1.00) MEN1KMT2APTGS2LMNAADORA3
Propyphenazone SCHEMBL7929540 0.69 LMNA (0.97) MEN1KMT2APTGS2LMNAADORA3

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 MEN1 1683/4885KMT2A 4086/4885PTGS2 999/4885

“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.