SCHEMBL20008684

SCHEMBL20008684

CN(C)C(=O)C(CC(C)(C)C)OC(=O)Cc1ccc(OC(=O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.46
KLK1 P06870 3/20 0.46
F2 P00734 2/20 0.46
TMPRSS2 O15393 2/20 0.46
SLC22A2 O15244 1/20 0.46
HPN P05981 1/20 0.46
PRSS2 P07478 1/20 0.46
CTSL P07711 1/20 0.46
CNR1 P21554 1/20 0.46
PRSS3 P35030 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRD1 P41143 1/20 0.46
HGFAC Q04756 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC47A2 Q86VL8 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
TMPRSS15 P98073 16/20 0.42

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
SCHEMBL20008664 0.90 PRSS1 (0.42) PRSS1KLK1F2TMPRSS2SLC22A2
SCHEMBL20008689 0.76 TMPRSS15 (0.48) PRSS1KLK1F2TMPRSS2SLC22A2
SCHEMBL18720209 0.74 PRSS1 (0.52) PRSS1KLK1F2TMPRSS2PRSS2
SCHEMBL20008697 0.74 PRSS1 (0.52) PRSS1KLK1F2TMPRSS2PRSS2
SCHEMBL20008681 0.71 PRSS1 (0.46) PRSS1KLK1F2TMPRSS2SLC22A2
SCHEMBL20008688 0.71 CPN1 (0.52) PRSS1KLK1F2TMPRSS15
SCHEMBL20008710 0.69 PRSS1 (0.51) PRSS1F2TMPRSS2SLC22A2PRSS2
SCHEMBL21920058 0.69 PRSS1 (0.74) PRSS1KLK1F2TMPRSS2SLC22A2
SCHEMBL10787817 0.68 PARP10 (0.49) PRSS1KLK1F2TMPRSS2HPN
SCHEMBL10492891 0.68 PRSS1 (0.75) PRSS1F2TMPRSS2SLC22A2PRSS2

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 PRSS1 952/4885KLK1 3383/4885F2 3807/4885

“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.