SCHEMBL4798010

SCHEMBL4798010

O=C([CH]CC1CCCCC1)NCCN1CCc2cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.59
CTSL P07711 9/20 0.47
CTSK P43235 4/20 0.47
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
NPY5R Q15761 1/20 0.41
KDM4A O75164 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL3014805 0.82 CTSS (0.63) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL3014808 0.82 CTSS (0.63) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL3024690 0.80 CTSS (0.62) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL5359602 0.80 CTSS (0.62) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL3024687 0.79 CTSS (0.39) CTSSCTSLCTSK
SCHEMBL4799862 0.79 CTSS (0.39) CTSSCTSLCTSK
SCHEMBL5408237 0.79 CTSS (0.44) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL5408243 0.76 CTSS (0.53) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL6691416 0.76 CTSS (0.53) CTSSCTSLCTSKALOX5EPHX2
SCHEMBL4800580 0.76 CTSS (0.63) CTSSCTSLCTSKNPY5R

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-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 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-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.