SCHEMBL3872609

SCHEMBL3872609

CCC(NC(=O)C(N)CC(F)(F)Cc1ccccc1)C(=O)c1nnc(C2CC2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.35
CTSK P43235 7/20 0.34
CTSS P25774 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
ALOX15 P16050 2/20 0.34
HTT P42858 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSB P07858 6/20 0.33
CTSL P07711 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CTSC P53634 1/20 0.33
XIAP P98170 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
SCHEMBL3870028 0.86 DPP4 (0.36) CTSKCTSSCTSLKMT2AMEN1
SCHEMBL3869390 0.85 CTSK (0.36) CTSKCTSSTHRBLMNATP53
SCHEMBL3870489 0.85 DPP4 (0.34) CTSKKMT2AMEN1
SCHEMBL3877226 0.83 SMYD3 (0.37) CTSKCTSSLMNAALOX15CTSB
SCHEMBL3871942 0.83 DGAT1 (0.35) CTSKCTSSCTSBCTSLCTSC
SCHEMBL8290655 0.83 CTSS (0.45) CTSKCTSSCTSBCTSL
SCHEMBL3870467 0.80 MMP1 (0.43) CTSKCTSSCTSBCTSC
SCHEMBL3872602 0.75 LIPG (0.32) LIPGCTSKCTSSSMN1; SMN2GAA
SCHEMBL3871985 0.75 FAAH (0.46) CTSKCTSSKDM4EALDH1A1CTSL
SCHEMBL3874385 0.74 PRSS1 (0.35) CTSKCTSSCTSBCTSC

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 LIPG 313/4885CTSK 3/4885CTSS 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.