SCHEMBL4878720

SCHEMBL4878720

CC(C)(C)OC(=O)NC(C(=O)NI)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.67
CTSS P25774 6/20 0.67
S1PR3 Q99500 1/20 0.49
SCN9A Q15858 1/20 0.47
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
GPR88 Q9GZN0 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL3214620 0.87 CTSK (0.69) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL3214617 0.87 CTSK (0.69) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL12069039 0.87 CTSK (0.69) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL4598033 0.85 CTSK (0.67) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL15626081 0.85 CTSK (0.67) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL12880513 0.85 CTSK (0.67) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL15671568 0.85 CTSK (0.67) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL15671569 0.85 CTSK (0.67) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL4598036 0.85 CTSK (0.67) CTSKCTSSS1PR3SCN9ACTSL
SCHEMBL16171655 0.84 CTSK (0.66) CTSKCTSSS1PR3SCN9ACTSL

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CTSK 430/4885CTSS 300/4885S1PR3 2773/4885

“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.