SCHEMBL6802863

SCHEMBL6802863

CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.69
GAA P10253 1/20 0.63
CAPN1 P07384 1/20 0.60
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CTSB P07858 2/20 0.49
CTSK P43235 2/20 0.49
CTSH P09668 1/20 0.49
CTSC P53634 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL6801263 1.00 CTSS (0.69) CTSSGAACAPN1PKMSMN1; SMN2
SCHEMBL7027854 1.00 CTSS (0.69) CTSSGAACAPN1PKMSMN1; SMN2
SCHEMBL18395767 0.88 CTSS (0.60) CTSSGAACAPN1PKMSMN1; SMN2
SCHEMBL7030374 0.85 POLB (0.68) CTSSGAACAPN1PKMSMN1; SMN2
SCHEMBL7030377 0.85 POLB (0.68) CTSSGAACAPN1PKMSMN1; SMN2
SCHEMBL7341199 0.84 GAA (0.62) CTSSGAACAPN1ALDH1A1
SCHEMBL7040252 0.84 GAA (0.62) CTSSGAACAPN1ALDH1A1
SCHEMBL3966807 0.84 GAA (0.62) CTSSGAACAPN1ALDH1A1
SCHEMBL7339296 0.83 GAA (0.64) CTSSGAACAPN1ALDH1A1
SCHEMBL6618585 0.83 GAA (0.64) CTSSGAACAPN1ALDH1A1

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
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US disclosed
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 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 (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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885GAA 47/4885CAPN1 89/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885GAA 47/4885CAPN1 89/4885

“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.