SCHEMBL3873469

SCHEMBL3873469

CC(F)(F)C[C@H](NC(=O)N1CCCOCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSS P25774 16/20 0.46
CTSK P43235 8/20 0.44
CTSB P07858 6/20 0.44
HTT P42858 1/20 0.43
CAPN1 P07384 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL3872807 0.95 PKM (0.50) PKMSMN1; SMN2CTSSCTSKCTSB
SCHEMBL3872815 0.95 PKM (0.50) PKMSMN1; SMN2CTSSCTSKCTSB
SCHEMBL3873043 0.88 PKM (0.47) PKMSMN1; SMN2CTSSCTSKCTSB
SCHEMBL3870801 0.85 CTSS (0.46) PKMSMN1; SMN2CTSSCTSKCTSB
SCHEMBL3870379 0.85 CTSS (0.46) PKMSMN1; SMN2CTSSCTSKCTSB
SCHEMBL6803162 0.84 CTSS (0.54) PKMSMN1; SMN2CTSSCTSKHTT
SCHEMBL25366197 0.82 PKM (0.49) PKMSMN1; SMN2CTSSCTSKHTT
SCHEMBL25366200 0.82 PKM (0.49) PKMSMN1; SMN2CTSSCTSKHTT
SCHEMBL3880338 0.82 CTSS (0.48) PKMSMN1; SMN2CTSSCTSKCTSB
SCHEMBL3872195 0.82 CTSS (0.48) PKMSMN1; SMN2CTSSCTSKCTSB

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
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK PKM 3930/4885SMN1; SMN2 3389/4885CTSS 2/4885

“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.