SCHEMBL6698932

SCHEMBL6698932

CC[C@H](NC(=O)CCS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)c1nc2ncccc2o1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 17/20 0.41
ALDH1A1 P00352 1/20 0.40
DAGLA Q9Y4D2 11/20 0.40
CMA1 P23946 1/20 0.39
CES1 P23141 4/20 0.37

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
SCHEMBL6699229 0.89 CTSS (0.45) ALDH1A1
SCHEMBL6062378 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6062452 0.77 ALDH1A1 (0.45) ALDH1A1
SCHEMBL6061707 0.75 CTSS (0.44)
SCHEMBL6061704 0.75 CTSS (0.44)
SCHEMBL6062653 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6062001 0.74 CTSK (0.41) ALDH1A1
SCHEMBL6062945 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6062997 0.72 CAPN1 (0.47) ALDH1A1
SCHEMBL6695177 0.72 MAP3K7 (0.41) ALDH1A1

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 1 patent. 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 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 FAAH 602/4885ALDH1A1 4046/4885DAGLA 1772/4885

“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.