SCHEMBL3873339

SCHEMBL3873339

COCC(NC(=O)C(N)CC(F)(F)Cc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.40
CMA1 P23946 8/20 0.39
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
XDH P47989 2/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
GLO1 Q04760 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CTSG P08311 1/20 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
SCHEMBL3870369 0.89 CTSS (0.43) CTSSCMA1FAAHCES1DAGLA
SCHEMBL8294638 0.82 CTSS (0.47) CTSSCTSLCTSBCTSK
SCHEMBL3877761 0.80 CTSS (0.49) CTSSCTSLCTSKCYP3A4CYP2C9
SCHEMBL3873494 0.78 FAAH (0.37) CTSSFAAHCES1DAGLAXDH
SCHEMBL3873335 0.76 CMA1 (0.38) CTSSCMA1FAAHCES1DAGLA
SCHEMBL3869390 0.75 CTSK (0.36) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL3870467 0.73 MMP1 (0.43) CTSSFAAHCES1CTSBCTSK
SCHEMBL3872609 0.73 LIPG (0.35) CTSSKDM4ECTSLCTSBCTSK
SCHEMBL6248431 0.72 CTSS (0.49) CTSSCTSLCTSBCTSKCYP3A4
SCHEMBL5800404 0.72 CTSS (0.43) CTSSFAAHCES1DAGLACTSK

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-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK CTSS 2/4885CMA1 19/4885FAAH 1034/4885

“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.