SCHEMBL6061822

SCHEMBL6061822

CC(C)(C)OC(=O)N1CCN(C([O])=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HPGD P15428 1/20 0.54
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
NR1H2 P55055 1/20 0.43

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
SCHEMBL698803 0.91 USP2 (0.69) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL18294 0.91 USP2 (0.69) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL5053 0.86 HPGD (0.68) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL7858182 0.86 HPGD (0.68) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL19852529 0.84 HPGD (0.71) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL18432213 0.84 HPGD (0.71) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL18097955 0.84 HPGD (0.71) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL16612394 0.84 USP2 (0.62) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL21707988 0.84 HPGD (0.71) USP2SMN1; SMN2HPGDEPHX2MEN1
SCHEMBL2077166 0.84 HPGD (0.71) USP2SMN1; SMN2HPGDEPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE USP2 516/4885SMN1; SMN2 3350/4885HPGD 1645/4885

“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.