SCHEMBL3533117

SCHEMBL3533117

Cn1c(C2CC2)cc(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NOTUM Q6P988 1/20 0.41
HTR7 P34969 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3533567 0.82 FAAH (0.41) ALDH1A1HTR7MEN1KMT2AALOX5
SCHEMBL3529011 0.81 NAPRT (0.41) ALDH1A1MEN1KMT2AALOX5GAA
SCHEMBL3531384 0.80 NAPRT (0.57) ALDH1A1HTR7MEN1KMT2ACYP1A2
SCHEMBL29238912 0.79 NAPRT (0.61) ALDH1A1NOTUMARMEN1KMT2A
SCHEMBL3531717 0.77 ALDH1A1 (0.45) CYP17A1ALDH1A1NOTUMHTR7AR
SCHEMBL3531196 0.76 ALDH1A1 (0.44) CYP17A1ALDH1A1NOTUMHTR7AR
SCHEMBL3533292 0.75 HSD11B1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL3533603 0.75 NAPRT (0.54) ALDH1A1HTR7KMT2ACYP1A2SMN1; SMN2
SCHEMBL3530770 0.75 NAPRT (0.39) ALDH1A1HTR7MEN1KMT2AGAA
SCHEMBL3535467 0.71 MEN1 (0.41) ALDH1A1NOTUMMEN1KMT2ASMN1; SMN2

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 CYP17A1 16/4885ALDH1A1 105/4885NOTUM 1893/4885

“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.