SCHEMBL6764532

SCHEMBL6764532

CC(C)C[C@H](N)C(=O)N(C1CCCNCC1O)S(=O)(=O)c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CTSL P07711 3/20 0.32
CTSS P25774 3/20 0.32
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
RPLP1 P05386 3/20 0.32
RPLP0 P05388 3/20 0.32
RPS17 P08708 3/20 0.32
RPSA P08865 3/20 0.32
RPS2 P15880 3/20 0.32
RPL35A P18077 3/20 0.32
RPL7 P18124 3/20 0.32
RPL17 P18621 3/20 0.32
RPS4Y1 P22090 3/20 0.32
RPS3 P23396 3/20 0.32
RPS12 P25398 3/20 0.32
RPL13 P26373 3/20 0.32
RPL10 P27635 3/20 0.32
RPL12 P30050 3/20 0.32

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
SCHEMBL7426317 0.86 CTSK (0.37) CTSKPTGDR2CTSLCTSSRPLP1
SCHEMBL5096405 0.83 CTSK (0.35) CTSKPTGDR2CTSLCTSSCIT
SCHEMBL6591072 0.83 PTGDR2 (0.33) PTGDR2RPLP1RPLP0RPS17RPSA
SCHEMBL6590370 0.82 AAK1 (0.36) PTGDR2ALOX5APFEN1
SCHEMBL5971691 0.82 MAPK1 (0.36) CTSKCTSLCTSSCTSB
SCHEMBL7428571 0.81 RPLP1 (0.33) PTGDR2ALOX5APFEN1RPLP1RPLP0
SCHEMBL7534924 0.81 CTSK (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4761997 0.80 IRAK4 (0.33) PTGDR2RPLP1RPLP0RPS17RPSA
SCHEMBL5971336 0.80 IRAK4 (0.33) PTGDR2RPLP1RPLP0RPS17RPSA
SCHEMBL7428041 0.80 CTSK (0.41) CTSKCTSLCTSSCTSVCTSB

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-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed

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-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885PTGDR2 2737/4885CTSL 25/4885

“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.