SCHEMBL3870043

SCHEMBL3870043

CCCC(F)(F)C[C@H](N)C(=O)N[C@@H](CC)C(=O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.49
CTSK P43235 14/20 0.49
CTSL P07711 13/20 0.49
CTSB P07858 12/20 0.49
HDAC8 Q9BY41 1/20 0.37
POLB P06746 1/20 0.37
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL13937551 0.83 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL3870506 0.82 HDAC6 (0.40) CTSSCTSKCTSLCTSBHDAC8
SCHEMBL3870037 0.77 CTSS (0.46) CTSSCTSKCTSLCTSBFAAH
SCHEMBL3873891 0.70 PI4KB (0.33) FAAH
SCHEMBL3871991 0.69
SCHEMBL3869390 0.69 CTSK (0.36) CTSSCTSKCTSLCTSBHDAC8
SCHEMBL3871719 0.68 SMN1; SMN2 (0.37) POLB
SCHEMBL3884984 0.67
SCHEMBL3871077 0.67
SCHEMBL3874164 0.67 CASP1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP claimed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO claimed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 WO claimed
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
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 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 CTSS 2/4885CTSK 3/4885CTSL 8/4885

“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.