SCHEMBL3870504

SCHEMBL3870504

CC[C@H](NC(=O)[CH]CC(F)(F)CCC(N)=O)[C@H](O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.36
CTSB P07858 4/20 0.36
CTSS P25774 4/20 0.36
CTSK P43235 4/20 0.36
HDAC6 Q9UBN7 10/20 0.36
FAAH O00519 1/20 0.34
EPHX2 P34913 1/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ROCK2 O75116 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL3870037 0.83 CTSS (0.46) CTSLCTSBCTSSCTSKFAAH
SCHEMBL3877221 0.82
SCHEMBL3870506 0.78 HDAC6 (0.40) CTSLCTSBCTSSCTSKHDAC6
SCHEMBL3876674 0.78 CTSK (0.43) CTSLCTSBCTSSCTSKHDAC6
SCHEMBL3876676 0.78 CTSK (0.43) CTSLCTSBCTSSCTSKHDAC6
SCHEMBL3871136 0.77
SCHEMBL3877510 0.72 NPSR1 (0.46) HDAC6FAAHEPHX2HDAC4HDAC7
SCHEMBL3877507 0.72 NPSR1 (0.46) HDAC6FAAHEPHX2HDAC4HDAC7
SCHEMBL8293810 0.72 NPSR1 (0.46) HDAC6FAAHEPHX2HDAC4HDAC7
SCHEMBL19809838 0.67 NPSR1 (0.44) CTSLCTSBCTSSCTSKHDAC6

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 CTSL 8/4885CTSB 1/4885CTSS 2/4885

“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.