SCHEMBL6062870

SCHEMBL6062870

CCC(NC(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)C(=O)NCCC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
CHRM4 P08173 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BCHE P06276 4/20 0.35
KMT2A Q03164 1/20 0.35
F2RL1 P55085 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CTSS P25774 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 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
SCHEMBL6062997 0.83 CAPN1 (0.47) ALDH1A1KMT2ACTSK
SCHEMBL6062865 0.82 ALDH1A1 (0.39) L3MBTL1LMNAALDH1A1KMT2ACYP3A4
SCHEMBL6062452 0.82 ALDH1A1 (0.45) LMNAALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL6062945 0.81 ALDH1A1 (0.42) LMNAALDH1A1KMT2A
SCHEMBL6695177 0.80 MAP3K7 (0.41) ALDH1A1KMT2A
SCHEMBL6062653 0.79 ALDH1A1 (0.43) LMNAALDH1A1KMT2A
SCHEMBL6062001 0.76 CTSK (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL6652774 0.76 L3MBTL1 (0.42) L3MBTL1ALDH1A1KMT2AGAA
SCHEMBL6061946 0.76 ALDH1A1 (0.39) L3MBTL1LMNAALDH1A1KMT2ACYP3A4
SCHEMBL6063394 0.75 ALDH1A1 (0.39) L3MBTL1LMNAALDH1A1KMT2ACYP3A4

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 L3MBTL1 4113/4885LMNA 1707/4885CHRM4 4604/4885

“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.