SCHEMBL6205823

SCHEMBL6205823

C=Cc1cccc(C(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@@H](CC)C(=O)c2nc3ccccc3o2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL6207000 0.82 CTSS (0.42) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL7049552 0.73 CTSS (0.44) CTSSCYP3A4CYP2C9LMNA
SCHEMBL14563015 0.72 CTSS (0.46) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6062804 0.70 CTSS (0.51) CTSSCYP3A4CYP2C9
SCHEMBL27663441 0.70 CTSS (0.57) CTSSCYP3A4CYP2C9
SCHEMBL14562995 0.70 CTSS (0.48) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6062622 0.70 CTSS (0.45) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6062611 0.70 CTSS (0.45) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL8361720 0.69 CTSS (0.44) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6076070 0.69 CTSS (0.44) CTSSCYP3A4CYP2C9FAAHCES1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US claimed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 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-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB CTSS 2/4885CYP3A4 1957/4885CYP2C9 2308/4885

“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.