SCHEMBL20008680

SCHEMBL20008680

CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(C(=N)N)cc2)c(CC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.51
PRSS1 P07477 7/20 0.51
KLK1 P06870 3/20 0.51
SLC22A2 O15244 1/20 0.51
TMPRSS2 O15393 1/20 0.51
HPN P05981 1/20 0.51
PRSS2 P07478 1/20 0.51
CTSL P07711 1/20 0.51
CNR1 P21554 1/20 0.51
PRSS3 P35030 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRD1 P41143 1/20 0.51
HGFAC Q04756 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC47A2 Q86VL8 1/20 0.51
SLC47A1 Q96FL8 1/20 0.51
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
TMPRSS15 P98073 7/20 0.35
F10 P00742 3/20 0.34

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
SCHEMBL20008661 0.90 PRSS1 (0.47) F2PRSS1KLK1SLC22A2TMPRSS2
SCHEMBL20008692 0.90 F10 (0.39) F2PRSS1KLK1SLC22A2TMPRSS2
SCHEMBL20008690 0.83 PRSS1 (0.51) F2PRSS1KLK1SLC22A2TMPRSS2
SCHEMBL20008683 0.82 PRSS1 (0.45) F2PRSS1KLK1TMPRSS2PRSS2
SCHEMBL20009151 0.80 PRSS1 (0.58) F2PRSS1KLK1SLC22A2TMPRSS2
SCHEMBL20008679 0.80 PRSS1 (0.55) F2PRSS1KLK1SLC22A2TMPRSS2
SCHEMBL20008671 0.80 PRSS1 (0.38) F2PRSS1KLK1SLC22A2TMPRSS2
SCHEMBL20008662 0.77 KLK1 (0.55) F2PRSS1KLK1SLC22A2TMPRSS2
SCHEMBL20008702 0.74 PRSS1 (0.47) PRSS1TMPRSS15
SCHEMBL21920058 0.74 PRSS1 (0.74) F2PRSS1KLK1SLC22A2TMPRSS2

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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 F2 3807/4885PRSS1 952/4885KLK1 3383/4885

“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.