SCHEMBL6697770

SCHEMBL6697770

N#CC(NC(=O)C(O)CS(=O)(=O)Cc1ccccc1OC(F)F)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.32
LIPG Q9Y5X9 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL6675301 1.00 TP53 (0.33) TP53KDM4EGAAKMT2AHPGD
SCHEMBL6649637 0.81 CTSC (0.40) TP53HPGDCTSBCTSS
SCHEMBL6062814 0.81 CTSC (0.40) TP53HPGDCTSBCTSS
SCHEMBL6651832 0.78 CTSS (0.40) KMT2AHPGDCTSBCTSS
SCHEMBL6629347 0.78 CTSS (0.40) KMT2AHPGDCTSBCTSS
SCHEMBL6062755 0.73 HPGD (0.39) KMT2AHPGDCTSBCTSS
SCHEMBL6629837 0.73 HPGD (0.39) KMT2AHPGDCTSBCTSS
SCHEMBL6630248 0.73 HPGD (0.42) KMT2AHPGD
SCHEMBL6630252 0.73 HPGD (0.42) KMT2AHPGD
SCHEMBL1556740 0.73 CTSS (0.65) HPGDCTSBCTSS

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 2 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
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 TP53 319/4885KDM4E 4386/4885GAA 20/4885

“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.