SCHEMBL3877507

SCHEMBL3877507

CCC(N)C(O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
HDAC6 Q9UBN7 8/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
NOTUM Q6P988 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.38
SCN5A Q14524 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL3877510 1.00 NPSR1 (0.46) NPSR1HDAC6BCHEACHEBACE1
SCHEMBL8293810 1.00 NPSR1 (0.46) NPSR1HDAC6BCHEACHEBACE1
SCHEMBL18105123 0.80 NPSR1 (0.46) NPSR1HDAC6BCHEACHEBACE1
SCHEMBL5457842 0.79 SMN1; SMN2 (0.50) NOTUMKDM4EHSD17B10LMNAGAA
SCHEMBL3621026 0.79 SMN1; SMN2 (0.50) NOTUMKDM4EHSD17B10LMNAGAA
SCHEMBL3621024 0.79 SMN1; SMN2 (0.50) NOTUMKDM4EHSD17B10LMNAGAA
Hydrochloric Acid SCHEMBL19809888 0.79 NPSR1 (0.45) NPSR1HDAC6BCHEACHEBACE1
SCHEMBL3623132 0.78 PKM (0.47) KDM4EHSD17B10LMNAGAAHPGD
SCHEMBL3623134 0.78 PKM (0.47) KDM4EHSD17B10LMNAGAAHPGD
SCHEMBL17516280 0.78 NPSR1 (0.54) NPSR1HDAC6BCHEACHEBACE1

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 5 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-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

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 NPSR1 1035/4885HDAC6 106/4885BCHE 531/4885

“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.