SCHEMBL3528930

SCHEMBL3528930

Cn1c(C2CC(F)(F)C2)c(Br)c(=O)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
HSD11B1 P28845 2/20 0.47
L3MBTL1 Q9Y468 8/20 0.35
TDP1 Q9NUW8 5/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
HCAR1 Q9BXC0 2/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL3531172 0.88 HSD11B1 (0.50) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3529312 0.87 HSD11B1 (0.50) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3525891 0.86 HSD11B1 (0.48) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3526443 0.85 HSD11B1 (0.53) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3532350 0.85 HSD11B1 (0.53) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3525634 0.76 HSD11B1 (0.43) CYP3A4HSD11B1L3MBTL1TDP1HCAR1
SCHEMBL3528722 0.76 HSD11B1 (0.56) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3532595 0.76 HSD11B1 (0.49) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3529879 0.75 HSD11B1 (0.57) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1
SCHEMBL3527102 0.74 HSD11B1 (0.57) CYP3A4HSD11B1L3MBTL1TDP1ALDH1A1

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 4 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 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 CYP3A4 45/4885HSD11B1 1/4885L3MBTL1 4505/4885

“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.