SCHEMBL20008697

SCHEMBL20008697

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 15/20 0.52
TMPRSS15 P98073 11/20 0.52
F2 P00734 3/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TMPRSS6 Q8IU80 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
ACR P10323 1/20 0.46
PARP10 Q53GL7 1/20 0.45
TMPRSS2 O15393 1/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL18720209 1.00 PRSS1 (0.52) PRSS1TMPRSS15F2PRSS2PRSS3
SCHEMBL20008695 0.89 PRSS1 (0.52) PRSS1TMPRSS15F2ST14TMPRSS2
SCHEMBL18720221 0.88 F12 (0.60) PRSS1F2PRSS2PRSS3ST14
SCHEMBL20008699 0.85 KMT2A (0.48) PRSS1F2PRSS2PRSS3ACR
SCHEMBL18720203 0.85 KMT2A (0.48) PRSS1F2PRSS2PRSS3ACR
SCHEMBL21119466 0.85 TMPRSS15 (0.47) PRSS1TMPRSS15F2PARP10
SCHEMBL20008710 0.83 PRSS1 (0.51) PRSS1TMPRSS15F2PRSS2PRSS3
SCHEMBL8224852 0.83 PRSS1 (0.57) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL20008707 0.82 PRSS1 (0.71) PRSS1TMPRSS15F2PRSS2PRSS3
SCHEMBL17236361 0.82 MAPT (0.64) PARP10

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 87/4885F2 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.