SCHEMBL5069922

SCHEMBL5069922

CC(=[N+]=[N-])OC(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
CNR2 P34972 1/20 0.33
NAMPT P43490 4/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TACR1 P25103 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
SCHEMBL24752804 0.80 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL25845775 0.80 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2DDB1
SCHEMBL5069921 0.78 USP2 (0.37) USP2SMN1; SMN2HPGDEPHX2DDB1
SCHEMBL240646 0.78 SMN1; SMN2 (0.43) USP2SMN1; SMN2HPGDEPHX2
SCHEMBL13661298 0.77 USP2 (0.45) USP2SMN1; SMN2HPGDEPHX2DDB1
SCHEMBL1086226 0.77 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2RECQL
SCHEMBL15742971 0.75 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2DDB1
SCHEMBL154164 0.75 USP2 (0.49) USP2SMN1; SMN2HPGDEPHX2DDB1
SCHEMBL25169698 0.75 USP2 (0.43) USP2SMN1; SMN2HPGDEPHX2EPHX1
Hydrochloric Acid SCHEMBL17714540 0.74 USP2 (0.47) USP2SMN1; SMN2HPGDEPHX2DDB1

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-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 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 (2 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS USP2 4394/4885SMN1; SMN2 2815/4885HPGD 1060/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS USP2 4492/4885SMN1; SMN2 2879/4885HPGD 736/4885

“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.