SCHEMBL6062865

SCHEMBL6062865

CCC(NC(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)C(=O)N(CC)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 3/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
MEN1 O00255 2/20 0.34
MAP3K7 O43318 2/20 0.33
TAB1 Q15750 2/20 0.33
CCR5 P51681 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6062653 0.86 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AMEN1MAP3K7
SCHEMBL6062452 0.83 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMEN1MAP3K7
SCHEMBL6062870 0.82 L3MBTL1 (0.40) ALDH1A1L3MBTL1LMNAKMT2ACYP3A4
SCHEMBL6695177 0.81 MAP3K7 (0.41) ALDH1A1KMT2AMEN1MAP3K7TAB1
SCHEMBL6062945 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6062997 0.78 CAPN1 (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6652774 0.77 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAP3K7
SCHEMBL6061946 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAKMT2AMAP3K7
SCHEMBL6063394 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL6062884 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAKMT2AMAP3K7

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 8 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
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
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 ALDH1A1 4046/4885SMN1; SMN2 3350/4885L3MBTL1 4113/4885

“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.