SCHEMBL6629762

SCHEMBL6629762

CCC[C@H](NC(=O)[C@@H](F)CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
CES1 P23141 1/20 0.47
DAGLA Q9Y4D2 1/20 0.47
CTSS P25774 15/20 0.45
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
CTSK P43235 3/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PRSS8 Q16651 2/20 0.43
XDH P47989 1/20 0.43

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
SCHEMBL6629768 1.00 FAAH (0.47) FAAHCES1DAGLACTSSCTSL
SCHEMBL6629760 1.00 FAAH (0.47) FAAHCES1DAGLACTSSCTSL
SCHEMBL6062622 0.84 CTSS (0.45) FAAHCES1DAGLACTSSCTSK
SCHEMBL6062611 0.84 CTSS (0.45) FAAHCES1DAGLACTSSCTSK
SCHEMBL27663433 0.83 CTSS (0.50) FAAHCES1CTSSCYP3A4CYP2C9
SCHEMBL6471948 0.82 CTSS (0.50) FAAHCES1DAGLACTSSCTSL
SCHEMBL3870369 0.81 CTSS (0.43) FAAHCES1DAGLACTSSCTSL
SCHEMBL5417348 0.80 CTSS (0.44) FAAHCES1DAGLACTSSCYP3A4
SCHEMBL7043343 0.80 CTSS (0.49) FAAHCES1DAGLACTSSCTSL
SCHEMBL5413826 0.80 CTSS (0.46) CTSSCYP3A4CYP2C9

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 6 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
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 FAAH 602/4885CES1 154/4885DAGLA 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.