SCHEMBL6917088

SCHEMBL6917088

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccc(C(=O)Nc3ccccc3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.53
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSB P07858 4/20 0.51
CTSK P43235 3/20 0.51
CTSL P07711 2/20 0.51
CTSH P09668 1/20 0.51
CTSC P53634 1/20 0.51
PSMB5 P28074 6/20 0.44
TMPRSS11D O60235 1/20 0.43
CTRL P40313 1/20 0.43
PSMB11 A5LHX3 2/20 0.43
PSMA7 O14818 2/20 0.43
PSMB1 P20618 2/20 0.43
PSMA1 P25786 2/20 0.43
PSMA2 P25787 2/20 0.43
PSMA3 P25788 2/20 0.43
PSMA4 P25789 2/20 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
SCHEMBL6800727 1.00 CTSS (0.53) CTSSMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL7028150 0.88 CTSS (0.61) CTSSSMN1; SMN2CTSBCTSKCTSL
SCHEMBL6807038 0.88 CTSS (0.61) CTSSSMN1; SMN2CTSBCTSKCTSL
SCHEMBL6802848 0.88 CTSS (0.61) CTSSSMN1; SMN2CTSBCTSKCTSL
SCHEMBL6801291 0.78 CTSS (0.63) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6801286 0.78 CTSS (0.63) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6801406 0.78 CTSS (0.62) CTSSSMN1; SMN2CTSBCTSKCTSL
SCHEMBL6801513 0.78 CTSS (0.62) CTSSSMN1; SMN2CTSBCTSKCTSL
SCHEMBL6801801 0.77 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH
SCHEMBL6801803 0.77 CTSS (0.61) CTSSCTSBCTSKCTSLCTSH

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 3 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-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 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-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885MEN1 2882/4885MAPT 4319/4885

“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.