SCHEMBL3603586

SCHEMBL3603586

CC(C)(C)OC(=O)N1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.72
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EPHX1 P07099 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PREP P48147 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NR1H2 P55055 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
SCHEMBL900812 0.95 CTSK (0.67) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL3603591 0.92 CTSK (0.64) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL9470186 0.88 CTSK (0.65) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL1190545 0.87 CTSK (0.59) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL13523486 0.87 CTSK (0.59) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL18997752 0.86 CTSK (0.57) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL22634049 0.82 CTSK (0.58) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL13944620 0.81 CTSK (0.53) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL13356432 0.81 CTSK (0.57) CTSKUSP2SMN1; SMN2HPGDMEN1
SCHEMBL861278 0.81 USP2 (0.64) CTSKUSP2SMN1; SMN2HPGDMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
EP-1858509-A4 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LTD (GB) 2009-03-18 EP disclosed
EP-1971594-A2 SUBSTITUTED PYRAZALONES Biogen Idec MA Inc. (US) 2008-09-24 EP disclosed
EP-1858509-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
US-7253169-B2 Aza compounds, pharmaceutical compositions and methods of use GLIAMED, INC. (US) 2007-08-07 US disclosed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 WO disclosed
WO-2006094003-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2006-09-08 WO disclosed
US-5494889-A THIADIAZABICYCLOOCTANE AND THIADIAZABICYCLOOCTENE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1996-02-27 US disclosed
EP-0639196-A1 NEW HERBICIDES Novartis AG (CH) 1995-02-22 EP disclosed
WO-1992021684-A1 NEW HERBICIDES CIBA-GEIGY AG (CH) 1992-12-10 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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 CTSK 1737/4885USP2 4456/4885SMN1; SMN2 4777/4885

“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.