SCHEMBL13798136

SCHEMBL13798136

CCCOC(=O)C(NC(=O)OCc1ccccc1)P(=O)(OC)OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.52
ELANE P08246 2/20 0.51
PRTN3 P24158 2/20 0.49
KLK1 P06870 1/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 1/20 0.46
ATM Q13315 1/20 0.45
CTRB1 P17538 2/20 0.45
TP53 P04637 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL19410220 0.91 KYNU (0.57) KYNUELANEPRTN3KLK1ATM
SCHEMBL29678939 0.90 KYNU (0.62) KYNUELANEPRTN3KLK1ATM
SCHEMBL187849 0.90 KYNU (0.62) KYNUELANEPRTN3KLK1ATM
SCHEMBL269404 0.90 KYNU (0.62) KYNUELANEPRTN3KLK1ATM
SCHEMBL13798141 0.87 KYNU (0.49) KYNUELANEPRTN3KLK1CTSL
SCHEMBL13435790 0.86 KYNU (0.57) KYNUELANEPRTN3KLK1ATM
SCHEMBL535707 0.86 KYNU (0.57) KYNUELANEPRTN3KLK1ATM
SCHEMBL1110994 0.85 KYNU (0.56) KYNUELANEPRTN3KLK1ATM
SCHEMBL13798138 0.85 KYNU (0.56) KYNUELANEPRTN3KLK1ATM
Lithium Ion SCHEMBL1110992 0.84 KYNU (0.55) KYNUELANEPRTN3KLK1ATM

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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS KYNU 3534/4885ELANE 992/4885PRTN3 1948/4885

“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.