SCHEMBL3528347

SCHEMBL3528347

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.53
LMNA P02545 3/20 0.52
ADORA3 P0DMS8 1/20 0.52
TSHR P16473 3/20 0.50
NR1I2 O75469 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
FPR2 P25090 2/20 0.46
FPR1 P21462 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3531070 0.88 MEN1 (0.53) PTGS2LMNAADORA3TSHRNR1I2
SCHEMBL3528048 0.85 PTGS2 (0.51) PTGS2LMNAADORA3TSHRNR1I2
SCHEMBL3527014 0.84 PTGS2 (0.55) PTGS2LMNAADORA3TSHRNR1I2
SCHEMBL3527994 0.80 LMNA (0.60) PTGS2LMNAADORA3TSHRNR1I2
SCHEMBL11287540 0.78 LMNA (0.65) PTGS2LMNAADORA3TSHRNR1I2
SCHEMBL3526669 0.75 LMNA (0.65) PTGS2LMNAADORA3TSHRNR1I2
Propyphenazone SCHEMBL7929540 0.69 LMNA (0.97) PTGS2LMNAADORA3CYP2D6KDM4E
SCHEMBL4331832 0.68 LMNA (0.50) PTGS2LMNAADORA3TSHRNR1I2
SCHEMBL3528656 0.68 HSD11B1 (0.41) FPR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL11313942 0.67 LMNA (0.81) PTGS2LMNAADORA3CYP2D6KDM4E

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 PTGS2 999/4885LMNA 3846/4885ADORA3 2619/4885

“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.