Sugi Predict

Sugi Predict / Compounds / SCHEMBL12196239

SCHEMBL12196239

SCHEMBL12196239

O=C(N[C@H]1COC[C@@H]1O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 16/20 0.47
▸ CTSL P07711 6/20 0.46
▸ CTSK P43235 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ REN P00797 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSH P09668 1/20 0.37

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
SCHEMBL8289701 0.82 CTSS (0.48) CTSSCTSLCTSKREN
SCHEMBL12196292 0.80 CTSS (0.49) CTSSCTSLCTSKALDH1A1MMP1
SCHEMBL12196236 0.80 CTSS (0.49) CTSSCTSLCTSKALDH1A1MMP1
SCHEMBL8290883 0.77 CTSS (0.48) CTSSCTSLCTSKALDH1A1MMP1
SCHEMBL14110451 0.76 CTSS (0.47) CTSSCTSLCTSKALDH1A1REN
SCHEMBL2163908 0.76 CTSK (0.58) CTSSCTSLCTSK
SCHEMBL12196312 0.76 CTSK (0.58) CTSSCTSLCTSK
SCHEMBL12196240 0.75 CTSS (0.60) CTSSCTSL
SCHEMBL28759166 0.74 CTSS (0.51) CTSSCTSLCTSKRENCTSB
SCHEMBL14277835 0.73 CTSS (0.67) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 — — EP disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 — — US disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 — — US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 — — US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 — — US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 — — US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 — — US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 — — US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 — — 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 (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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.