SCHEMBL12196264

SCHEMBL12196264

CC[C@H](NC(=O)O[C@@H](CC1CCCC1)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.78
CTSL P07711 4/20 0.47
CTSK P43235 4/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL12196258 0.99 CTSS (0.79) CTSSCTSLCTSKCYP3A4CYP2C9
SCHEMBL12196285 0.94 CTSS (0.70) CTSSCTSKCYP3A4CYP2C9
SCHEMBL12196259 0.93 CTSS (0.77) CTSSCTSLCTSK
SCHEMBL12196271 0.92 CTSS (0.68) CTSSCTSLCTSKCYP3A4CYP2C9
SCHEMBL2163649 0.90 CTSS (0.81) CTSSCTSLCTSK
SCHEMBL12196257 0.90 CTSS (0.81) CTSSCTSLCTSK
SCHEMBL12221567 0.89 CTSS (0.65) CTSSCTSLCTSK
SCHEMBL12196320 0.89 CTSS (0.62) CTSSCTSLCTSK
SCHEMBL12196311 0.89 CTSS (0.64) CTSSCTSLCTSK
SCHEMBL12221734 0.89 CTSS (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.