SCHEMBL3528469

SCHEMBL3528469

Cn1c(C2CC2)c(C2CC2)c(=O)n1-c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.45
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SMURF1 Q9HCE7 3/20 0.39
SMURF2 Q9HAU4 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL3525631 0.86 SMURF1 (0.45) HSD11B1CYP3A4KMT2AMEN1SMURF1
SCHEMBL3532708 0.84 HSD11B1 (0.39) HSD11B1CYP3A4KMT2AMEN1SMURF1
SCHEMBL3528906 0.84 HSD11B1 (0.41) HSD11B1CYP3A4KMT2ASMURF1
SCHEMBL3529557 0.84 MAPT (0.41) HSD11B1CYP3A4KMT2AMEN1HPGD
SCHEMBL3525729 0.84 HSD11B1 (0.53) HSD11B1CYP3A4KMT2ANOTUMALDH1A1
SCHEMBL3525668 0.83 HSD11B1 (0.36) HSD11B1CYP3A4SMURF1
SCHEMBL3530307 0.83 HSD11B1 (0.43) HSD11B1CYP3A4TP53ALDH1A1SMN1; SMN2
SCHEMBL3530751 0.83 LMNA (0.39) HSD11B1CYP3A4KMT2AMEN1TP53
SCHEMBL3527102 0.82 HSD11B1 (0.57) HSD11B1CYP3A4KMT2AMEN1TP53
SCHEMBL3531164 0.81 HSD11B1 (0.44) HSD11B1CYP3A4KMT2AMEN1SMURF1

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 45/4885KMT2A 4086/4885

“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.