SCHEMBL2199236

SCHEMBL2199236

CCOC(=O)C(C(=O)c1cncnc1)C(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 2/20 0.35
ELANE P08246 2/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL2197500 0.83 GAA (0.40) GAACYP2C9CYP2C19RAB9AELANE
SCHEMBL4940887 0.77 SOAT1 (0.41) GAARAB9AHSD17B10ALDH1A1L3MBTL1
SCHEMBL11529854 0.74 CYP2C9 (0.42) CYP2C9CYP2C19SIRT2HSD17B10KMT2A
SCHEMBL11530148 0.73 CYP2C9 (0.41) GAACYP2C9CYP2C19SIRT2HSD17B10
SCHEMBL1085238 0.72 ALDH1A1 (0.38) GAARAB9AHSD17B10ALDH1A1L3MBTL1
SCHEMBL2198982 0.70 ALDH1A1 (0.50) GAAKMT2AHCAR2KDM4EALDH1A1
SCHEMBL2001451 0.70 ALDH1A1 (0.46) GAAKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL942071 0.70 ALDH1A1 (0.46) GAAKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL489451 0.68 CYP2C9 (0.62) CYP2C9CYP2C19RAB9AKMT2AHCAR2
SCHEMBL4481930 0.67 TP53 (0.37) CYP2C9KMT2APOLBALDH1A1HPGD

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 GAA 4632/4885CYP2C9 723/4885CYP2C19 798/4885

“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.