SCHEMBL3871985

SCHEMBL3871985

CC[C@H](NC(=O)[C@@H](N)CC(F)(F)Cc1ccccc1)C(=O)c1ncc(-c2cccs2)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.46
CES1 P23141 1/20 0.46
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HPGDS O60760 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSPA5 P11021 2/20 0.34
CTSC P53634 2/20 0.34
HDAC2 Q92769 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
HSPA9 P38646 1/20 0.33
HSPA2 P54652 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8292297 0.84 CTSS (0.42) FAAHCES1CTSLCTSSCTSK
SCHEMBL6249769 0.84 CTSS (0.42) FAAHCES1CTSLCTSSCTSK
SCHEMBL3870467 0.79 MMP1 (0.43) FAAHCES1CTSSCTSKCTSC
SCHEMBL3869390 0.77 CTSK (0.36) CTSLCTSSCTSKCTSCHDAC2
SCHEMBL3871979 0.76 FAAH (0.45) FAAHCES1CTSLCTSSCTSK
SCHEMBL3873891 0.76 PI4KB (0.33) FAAHHPGDS
SCHEMBL3872609 0.75 LIPG (0.35) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL3871942 0.72 DGAT1 (0.35) CTSLCTSSCTSKCTSC
SCHEMBL3874385 0.71 PRSS1 (0.35) CTSSCTSKCTSC
SCHEMBL3870369 0.70 CTSS (0.43) FAAHCES1CTSLCTSSCTSK

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 4 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-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-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 FAAH 1034/4885CES1 251/4885CTSL 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.