SCHEMBL6063394

SCHEMBL6063394

CCC(NC(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)C(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAP3K7 O43318 9/20 0.34
TAB1 Q15750 8/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KCNK3 O14649 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
SCHEMBL6695177 0.91 MAP3K7 (0.41) ALDH1A1MAP3K7TAB1KMT2AMEN1
SCHEMBL6652774 0.89 L3MBTL1 (0.42) ALDH1A1MAP3K7TAB1KMT2AGAA
SCHEMBL6061946 0.89 ALDH1A1 (0.39) ALDH1A1MAP3K7TAB1KMT2ACYP3A4
SCHEMBL6062884 0.88 ALDH1A1 (0.39) ALDH1A1MAP3K7TAB1KMT2ACYP3A4
SCHEMBL6062452 0.83 ALDH1A1 (0.45) ALDH1A1MAP3K7TAB1KMT2ACYP3A4
SCHEMBL6629051 0.81 ALDH1A1 (0.36) ALDH1A1MAP3K7TAB1KMT2ACYP3A4
SCHEMBL6062653 0.81 ALDH1A1 (0.43) ALDH1A1MAP3K7TAB1KMT2AMEN1
SCHEMBL6062945 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL6062997 0.78 CAPN1 (0.47) ALDH1A1KMT2A
SCHEMBL6062865 0.77 ALDH1A1 (0.39) ALDH1A1MAP3K7TAB1KMT2ACYP3A4

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 4046/4885MAP3K7 2392/4885TAB1 2544/4885

“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.