SCHEMBL20008701

SCHEMBL20008701

CC(C)(C)Cc1cc(N=C(N)N)ccc1OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 17/20 0.53
ACR P10323 11/20 0.53
TMPRSS15 P98073 2/20 0.50
KLK1 P06870 2/20 0.44
TMPRSS2 O15393 1/20 0.44
PRSS2 P07478 5/20 0.44
PRSS3 P35030 5/20 0.44
F2 P00734 4/20 0.44
HGFAC Q04756 2/20 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
SCHEMBL20008702 0.81 PRSS1 (0.47) PRSS1TMPRSS15
SCHEMBL20008707 0.73 PRSS1 (0.71) PRSS1ACRTMPRSS15KLK1TMPRSS2
SCHEMBL21119464 0.71 PRSS1 (0.58) PRSS1ACRTMPRSS15KLK1TMPRSS2
SCHEMBL20008683 0.71 PRSS1 (0.45) PRSS1TMPRSS15KLK1TMPRSS2PRSS2
SCHEMBL20008700 0.70 PRSS1 (0.88) PRSS1ACRTMPRSS15KLK1TMPRSS2
SCHEMBL20008706 0.68 PRSS1 (1.00) PRSS1ACRTMPRSS15KLK1TMPRSS2
SCHEMBL20008669 0.67 NR1H4 (0.45) PRSS1TMPRSS15KLK1TMPRSS2PRSS2
SCHEMBL17236361 0.67 MAPT (0.64)
SCHEMBL4335496 0.66 NR1H4 (0.50)
SCHEMBL20008692 0.66 F10 (0.39) PRSS1TMPRSS15KLK1TMPRSS2PRSS2

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 4881/4885TMPRSS15 87/4885

“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.