SCHEMBL6650109

SCHEMBL6650109

NC(CS(=O)(=O)CC1CC1)C(=O)N[C@H](CCc1ccccc1)[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CTSC P53634 3/20 0.35
PTPN1 P18031 8/20 0.34
CTSB P07858 3/20 0.34
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
CTSK P43235 2/20 0.34
PTPN2 P17706 6/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
GART P22102 1/20 0.33
CTSH P09668 1/20 0.33
PRSS8 Q16651 1/20 0.32

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
SCHEMBL6650112 1.00 LMNA (0.36) LMNAMAPTCTSCPTPN1CTSB
SCHEMBL6650104 1.00 LMNA (0.36) LMNAMAPTCTSCPTPN1CTSB
SCHEMBL6633244 0.90 CTSS (0.35) LMNAPTPN1CTSSPTPN2
SCHEMBL6700654 0.90 CTSS (0.35) LMNAPTPN1CTSSPTPN2
SCHEMBL6700659 0.90 CTSS (0.35) LMNAPTPN1CTSSPTPN2
SCHEMBL6468744 0.89 ALDH1A1 (0.39) CTSCPTPN1CTSBCTSSCTSK
Hydrochloric Acid SCHEMBL6465933 0.88 ALDH1A1 (0.38) CTSCPTPN1CTSBCTSSCTSK
SCHEMBL5945973 0.88 CTSS (0.34) PTPN1CTSSPTPN2
SCHEMBL6464156 0.84 CTSS (0.43) LMNAMAPTCTSCCTSBCTSS
SCHEMBL6062057 0.84 CTSS (0.41) MAPTCTSSCTSK

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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LMNA 1707/4885MAPT 2065/4885CTSC 13/4885

“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.