SCHEMBL2683671

SCHEMBL2683671

CC(C)(C)OC(=O)N1CC[C@@H](OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
GPR119 Q8TDV5 7/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
STS P08842 1/20 0.44
FKBP1A P62942 1/20 0.43
F2 P00734 1/20 0.43
ACHE P22303 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL2683675 1.00 ALOX5 (0.48) ALOX5GPR119ALDH1A1LMNAMAPT
SCHEMBL10167920 0.92 GPR119 (0.47) GPR119STSPRMT5WDR77TGFBR1
SCHEMBL6364180 0.89 ALDH1A1 (0.54) GPR119ALDH1A1LMNAMAPTSTS
SCHEMBL3129522 0.89 ALDH1A1 (0.54) GPR119ALDH1A1LMNAMAPTSTS
SCHEMBL3127065 0.83 ALDH1A1 (0.52) GPR119ALDH1A1LMNAMAPTSTS
SCHEMBL13984238 0.82 ALOX5 (0.48) ALOX5ALDH1A1LMNAMAPTFKBP1A
SCHEMBL26091331 0.82 ALDH1A1 (0.59) GPR119ALDH1A1LMNAMAPTSTS
SCHEMBL1031264 0.82 USP30 (0.52) GPR119ALDH1A1LMNAMAPT
SCHEMBL8247003 0.82 USP30 (0.52) GPR119ALDH1A1LMNAMAPT
SCHEMBL28059322 0.82 USP30 (0.52) GPR119ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 EP disclosed
EP-2635562-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
WO-2012059507-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 WO disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 US disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 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-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES CTSD, CTSV, CTSS ALOX5 3196/4885GPR119 3167/4885ALDH1A1 261/4885

“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.