SCHEMBL3525631

SCHEMBL3525631

Cc1c(C2CC2)c(=O)n(-c2ccccc2F)n1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMURF1 Q9HCE7 6/20 0.45
HSD11B1 P28845 6/20 0.45
SMURF2 Q9HAU4 1/20 0.43
CCR3 P51677 1/20 0.41
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
HTR7 P34969 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
SCHEMBL3528469 0.86 HSD11B1 (0.45) SMURF1HSD11B1SMURF2CYP3A4MEN1
SCHEMBL3531164 0.81 HSD11B1 (0.44) SMURF1HSD11B1SMURF2CCR3CYP3A4
SCHEMBL3525763 0.79 ALOX15 (0.57) HSD11B1MEN1KMT2AMAPTPOLB
SCHEMBL3530986 0.77 MEN1 (0.47) HSD11B1CCR3MEN1KMT2AHTR7
SCHEMBL3530825 0.76 HSD11B1 (0.41) SMURF1HSD11B1CCR3CYP3A4MAPT
SCHEMBL3532708 0.76 HSD11B1 (0.39) SMURF1HSD11B1SMURF2CCR3CYP3A4
SCHEMBL17260089 0.76 BCHE (0.61) SMURF1MEN1KMT2APOLB
SCHEMBL3529760 0.76 SMURF1 (0.42) SMURF1MEN1KMT2APOLB
SCHEMBL3531357 0.75 NOX4 (0.43) HSD11B1MEN1KMT2AMAPT
SCHEMBL3528906 0.74 HSD11B1 (0.41) SMURF1HSD11B1CCR3CYP3A4KMT2A

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 SMURF1 4638/4885HSD11B1 1/4885SMURF2 4838/4885

“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.