SCHEMBL20008707

SCHEMBL20008707

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 15/20 0.71
F2 P00734 4/20 0.71
PRSS2 P07478 4/20 0.71
PRSS3 P35030 4/20 0.71
ACR P10323 11/20 0.70
KLK1 P06870 2/20 0.68
TMPRSS2 O15393 1/20 0.68
HGFAC Q04756 2/20 0.67
TMPRSS15 P98073 1/20 0.62
PLG P00747 1/20 0.59

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
SCHEMBL21119464 0.85 PRSS1 (0.58) PRSS1F2PRSS2PRSS3ACR
SCHEMBL20008709 0.84 PRSS1 (0.71) PRSS1F2PRSS2PRSS3ACR
SCHEMBL20008697 0.82 PRSS1 (0.52) PRSS1F2PRSS2PRSS3ACR
SCHEMBL18720209 0.82 PRSS1 (0.52) PRSS1F2PRSS2PRSS3ACR
SCHEMBL17236361 0.79 MAPT (0.64)
SCHEMBL6721103 0.79 MAPT (0.55) PRSS1ACRTMPRSS15
SCHEMBL1649708 0.78 PRSS1 (1.00) PRSS1F2PRSS2PRSS3ACR
SCHEMBL20008700 0.77 PRSS1 (0.88) PRSS1F2PRSS2PRSS3ACR
SCHEMBL20008706 0.77 PRSS1 (1.00) PRSS1F2PRSS2PRSS3ACR
SCHEMBL20008699 0.77 KMT2A (0.48) PRSS1F2PRSS2PRSS3ACR

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 952/4885F2 3807/4885PRSS2 665/4885

“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.