SCHEMBL20008715

SCHEMBL20008715

NC(N)=Nc1ccc(OC(=O)c2ccc(OCCOCCOc3ccc(C(=O)Oc4ccc(N=C(N)N)cc4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.78
ACR P10323 11/20 0.78
F2 P00734 4/20 0.75
PRSS2 P07478 4/20 0.75
PRSS3 P35030 4/20 0.75
HGFAC Q04756 3/20 0.69
TMPRSS15 P98073 1/20 0.65
TMPRSS2 O15393 1/20 0.64
KLK1 P06870 1/20 0.64
PLG P00747 1/20 0.61

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
SCHEMBL20008711 0.81 PRSS1 (0.67) PRSS1ACRF2TMPRSS2PLG
SCHEMBL20008709 0.81 PRSS1 (0.71) PRSS1ACRF2PRSS2PRSS3
SCHEMBL20008700 0.79 PRSS1 (0.88) PRSS1ACRF2PRSS2PRSS3
SCHEMBL20008706 0.79 PRSS1 (1.00) PRSS1ACRF2PRSS2PRSS3
SCHEMBL18720310 0.77 PRSS1 (0.59) PRSS1ACRF2TMPRSS2PLG
SCHEMBL30627528 0.76 PLG (1.00) PRSS1ACRF2PRSS2PRSS3
SCHEMBL20008755 0.76 TMPRSS2 (0.66) PRSS1ACRF2TMPRSS2PLG
SCHEMBL20008707 0.76 PRSS1 (0.71) PRSS1ACRF2PRSS2PRSS3
SCHEMBL29358345 0.75 HGFAC (1.00) PRSS1ACRF2PRSS2PRSS3
Hydrochloric Acid SCHEMBL30117920 0.74 HGFAC (0.97) PRSS1ACRF2PRSS2PRSS3

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 952/4885ACR 4881/4885F2 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.