SCHEMBL5841430

SCHEMBL5841430

NC(=O)c1cc(OC(F)(F)F)ccc1NCCNC(=O)[CH]CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.40
CTSL P07711 8/20 0.40
CTSK P43235 6/20 0.40
PARP10 Q53GL7 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CDK2 P24941 1/20 0.37
SCN8A Q9UQD0 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
CHRM4 P08173 1/20 0.36
PARP15 Q460N3 2/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL5841917 0.90 PARP10 (0.39) PARP10ALDH1A1POLBCDK2SIRT2
SCHEMBL3017456 0.84 RAB9A (0.40) CTSSCTSLPARP10POLBSIRT2
SCHEMBL5843360 0.83 CTSS (0.53) CTSSCTSLCTSKKDM4EALDH1A1
SCHEMBL3019566 0.74 CTSS (0.39) CTSSCTSLCTSKEPHX1EPHX2
SCHEMBL5264007 0.71 CHEK1 (0.43) KDM4EALDH1A1POLBCDK2EPHX2
SCHEMBL4796161 0.70 CTSL (0.43) CTSSCTSLCTSKEPHX1
SCHEMBL4800843 0.70 CTSS (0.51) CTSSCTSLCTSKKDM4EALDH1A1
SCHEMBL6685716 0.69 KDM4E (0.47) CTSSCTSLCTSKKDM4EALDH1A1
SCHEMBL6689992 0.68 CFD (0.41) KDM4EALDH1A1POLBSIRT2EPHX1
SCHEMBL3022158 0.68 CTSS (0.49) CTSSCTSLCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE CTSS 1/4885CTSL 10/4885CTSK 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.