SCHEMBL20008683

SCHEMBL20008683

CC(C)(C)Cc1cc(CC(=O)O)ccc1OC(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.45
TMPRSS15 P98073 8/20 0.45
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
F2 P00734 2/20 0.43
KLK1 P06870 2/20 0.41
TMPRSS2 O15393 1/20 0.41
PLG P00747 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL20008669 0.88 NR1H4 (0.45) PRSS1TMPRSS15F2KLK1TMPRSS2
SCHEMBL20008692 0.88 F10 (0.39) PRSS1TMPRSS15ITGB3ITGA2BF2
SCHEMBL20008702 0.84 PRSS1 (0.47) PRSS1TMPRSS15NPSR1
SCHEMBL20008680 0.82 F2 (0.51) PRSS1TMPRSS15ITGB3ITGA2BF2
SCHEMBL20008686 0.79 TMPRSS15 (0.47) PRSS1TMPRSS15ITGB3ITGA2BF2
SCHEMBL20223008 0.77 GAA (0.60) NPSR1GAA
SCHEMBL20008671 0.77 PRSS1 (0.38) PRSS1TMPRSS15F2KLK1TMPRSS2
SCHEMBL20008697 0.75 PRSS1 (0.52) PRSS1TMPRSS15F2KLK1TMPRSS2
SCHEMBL18720209 0.75 PRSS1 (0.52) PRSS1TMPRSS15F2KLK1TMPRSS2
SCHEMBL20008661 0.73 PRSS1 (0.47) PRSS1TMPRSS15F2KLK1TMPRSS2

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 952/4885TMPRSS15 87/4885ITGB3 2592/4885

“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.