SCHEMBL6837068

SCHEMBL6837068

CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2cccc[n+]2[O-])C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
CTSK P43235 6/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
PSMB5 P28074 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CTSL P07711 4/20 0.37
CTSS P25774 4/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CTSV O60911 1/20 0.36

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
SCHEMBL6841642 0.85 CTSK (0.51) SMN1; SMN2MAPK1CTSKCTSLCTSS
SCHEMBL6843742 0.83 CTSK (0.48) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6843765 0.82 CTSK (0.56) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6836885 0.82 CTSK (0.41) CTSKCTSLCTSSNPC1RAB9A
SCHEMBL6841344 0.81 CTSK (0.39) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6213760 0.80 CTSK (0.48) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6836894 0.79 CTSK (0.49) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842073 0.78 CTSL (0.39) SMN1; SMN2MAPK1CTSKKDM4EALDH1A1
SCHEMBL7207130 0.77 CTSK (0.45) CTSKKMT2ACTSLCTSSCTSV
SCHEMBL6212545 0.76 CTSK (0.48) CTSKKMT2ACTSLCTSSCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ SMN1; SMN2 4434/4885MAPK1 2113/4885CTSK 1/4885

“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.