SCHEMBL6907150

SCHEMBL6907150

COC(=O)N[C@@H](CC1(C)CCCC1)C(=O)N[C@]1(C(O)C(=O)Nc2ccn(C)n2)C[C@@H](F)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GCK P35557 3/20 0.32
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
IDO1 P14902 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL6908374 0.92 CTSK (0.36) CTSKCTSLIDO1
SCHEMBL13641977 0.90 CTSK (0.35) CTSKKDM4EALDH1A1LMNAHTT
SCHEMBL13584567 0.90 CTSK (0.35) CTSKKDM4EALDH1A1LMNAHTT
SCHEMBL13584641 0.88 CTSK (0.34) CTSKKDM4EALDH1A1LMNAHTT
SCHEMBL6886050 0.88 CTSK (0.34) CTSKKDM4EALDH1A1LMNAHTT
SCHEMBL6908637 0.85 CTSK (0.41) CTSKKDM4EALDH1A1LMNAHTT
SCHEMBL14325523 0.85 CTSK (0.46) CTSKKDM4EALDH1A1LMNAHTT
SCHEMBL14317256 0.84 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL6886347 0.84 CTSK (0.36) CTSKCTSLCTSS
SCHEMBL14248857 0.83 CTSK (0.37) CTSKKDM4EALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO 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-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 CTSK 13/4885KDM4E 4154/4885ALDH1A1 2532/4885

“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.