SCHEMBL3876732

SCHEMBL3876732

CCC(N)C(O)c1ncc(-c2cc(C)on2)o1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FAAH O00519 2/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL3876734 1.00 POLB (0.33) POLBKDM4EMAPK1TDP1ALDH1A1
SCHEMBL8290833 1.00 POLB (0.33) POLBKDM4EMAPK1TDP1ALDH1A1
SCHEMBL13937518 0.80 RAB9A (0.32) POLBKDM4EMAPK1ALDH1A1GAA
SCHEMBL3877243 0.76 LMNA (0.33) MAPK1ALDH1A1GAA
SCHEMBL6249134 0.76 KDM4E (0.31) POLBKDM4ENPC1RAB9A
SCHEMBL8291559 0.71 FAAH (0.38) POLBKDM4ETDP1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL3869265 0.70 FAAH (0.38) POLBKDM4EMAPK1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL3869263 0.70 FAAH (0.38) POLBKDM4EMAPK1TDP1ALDH1A1
SCHEMBL14562851 0.62 KDM4E (0.37) KDM4EMAPK1TDP1FAAH
SCHEMBL5954903 0.62 KDM4E (0.37) KDM4EMAPK1TDP1FAAH

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 POLB 736/4885KDM4E 3669/4885MAPK1 3462/4885

“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.