SCHEMBL5397395

SCHEMBL5397395

O=C(O)[C@H](CS)NCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACE P12821 1/20 0.40
FOLH1 Q04609 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CPN1 P15169 4/20 0.37
CPB2 Q96IY4 4/20 0.37
ANPEP P15144 2/20 0.37
ENPEP Q07075 2/20 0.37
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL21242136 0.80 CA2 (0.38) SMN1; SMN2TDP1GRNSORT1SIGMAR1
SCHEMBL383310 0.80 TDP1 (0.42) ACETDP1CPB2GRNSORT1
SCHEMBL30524563 0.78 CA2 (0.37) SMN1; SMN2TDP1GRNSORT1SIGMAR1
SCHEMBL6898678 0.77 KDM4E (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6903808 0.77 KDM4E (0.41) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL31717003 0.76 TDP1 (0.34) FOLH1TDP1GRNSORT1SIGMAR1
SCHEMBL2249648 0.74 KMT2A (0.41) ALOX15BLMACEFOLH1TDP1
SCHEMBL22412993 0.74 NOD1 (0.41) MAPTACECA2
SCHEMBL900178 0.73 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL900182 0.73 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
EP-1446392-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US disclosed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 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 (3 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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE KDM4E 4451/4885MAPT 1877/4885THRB 4333/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE KDM4E 4451/4885MAPT 1877/4885THRB 4333/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE KDM4E 4405/4885MAPT 1892/4885THRB 4400/4885

“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.