SCHEMBL3871979

SCHEMBL3871979

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.45
CES1 P23141 1/20 0.45
HPGDS O60760 4/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
HSPA5 P11021 1/20 0.31
HSPA9 P38646 1/20 0.31
HSPA2 P54652 1/20 0.31

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
SCHEMBL3870461 0.79 MMP1 (0.40) FAAHCES1RAB9A
SCHEMBL3871985 0.76 FAAH (0.46) FAAHCES1HPGDSNPC1RAB9A
SCHEMBL3869386 0.76 CTSS (0.35) RAB9ACTSLCTSSCTSK
SCHEMBL3872602 0.75 LIPG (0.32) RAB9AMEN1KMT2ACTSSCTSK
SCHEMBL3871936 0.73 CNR2 (0.33) RAB9A
SCHEMBL5772079 0.71 FAAH (0.47) FAAHCES1
SCHEMBL3874379 0.71 PRSS1 (0.33) RAB9A
SCHEMBL3873933 0.69 SMYD3 (0.36) FAAHRAB9A
SCHEMBL3873883 0.69 FAAH (0.33) FAAHHPGDS
SCHEMBL3872205 0.69 FAAH (0.33) FAAHHPGDS

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 251/4885HPGDS 622/4885

“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.