SCHEMBL6062945

SCHEMBL6062945

CCC(NC(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)C(=O)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.35
RORC P51449 1/20 0.35
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6062001 0.91 CTSK (0.41) ALDH1A1SMN1; SMN2TDP1
SCHEMBL6062452 0.89 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1LMNARORC
SCHEMBL6062997 0.87 CAPN1 (0.47) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6062653 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNARORC
SCHEMBL6695177 0.82 MAP3K7 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL6062870 0.81 L3MBTL1 (0.40) ALDH1A1KMT2ALMNA
SCHEMBL6652774 0.80 L3MBTL1 (0.42) ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL6061946 0.80 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAHPGD
SCHEMBL6062865 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6062884 0.79 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAMAPTHTT

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 4046/4885KMT2A 4623/4885MEN1 4485/4885

“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.