SCHEMBL6652774

SCHEMBL6652774

CCC(NC(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)C(=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNK3 O14649 1/20 0.38
KMT2A Q03164 2/20 0.37
CNR2 P34972 1/20 0.36
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
FKBP1A P62942 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6695177 0.92 MAP3K7 (0.41) ALDH1A1KCNK3KMT2AMAP3K7TAB1
SCHEMBL6061946 0.90 ALDH1A1 (0.39) L3MBTL1GAAALDH1A1HPGDKMT2A
SCHEMBL6063394 0.89 ALDH1A1 (0.39) L3MBTL1GAAALDH1A1HPGDKCNK3
SCHEMBL6062884 0.89 ALDH1A1 (0.39) L3MBTL1GAAALDH1A1KDM4EKMT2A
SCHEMBL6062452 0.84 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMAP3K7TAB1
SCHEMBL6062653 0.81 ALDH1A1 (0.43) ALDH1A1HPGDKMT2AMAP3K7TAB1
SCHEMBL6629051 0.80 ALDH1A1 (0.36) L3MBTL1GAAALDH1A1HPGDKMT2A
SCHEMBL6062945 0.80 ALDH1A1 (0.42) ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL6062997 0.78 CAPN1 (0.47) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6062865 0.77 ALDH1A1 (0.39) L3MBTL1GAAALDH1A1KMT2AMAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE L3MBTL1 4113/4885GAA 20/4885ALDH1A1 4046/4885

“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.