SCHEMBL20008688

SCHEMBL20008688

CC(C)(C)CC(C(=O)O)c1ccc(OC(=O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.52
CPB2 Q96IY4 1/20 0.52
TMPRSS15 P98073 15/20 0.48
PRSS1 P07477 14/20 0.48
ACR P10323 1/20 0.43
PARP10 Q53GL7 1/20 0.43
F2 P00734 1/20 0.41
KLK1 P06870 1/20 0.41

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
SCHEMBL20008668 0.88 KMT2A (0.43) CPN1CPB2TMPRSS15PRSS1ACR
SCHEMBL20008681 0.82 PRSS1 (0.46) CPN1CPB2TMPRSS15PRSS1ACR
SCHEMBL18720215 0.78 CPN1 (0.54) CPN1CPB2PRSS1F2
SCHEMBL20008697 0.77 PRSS1 (0.52) TMPRSS15PRSS1ACRPARP10F2
SCHEMBL20008710 0.77 PRSS1 (0.51) TMPRSS15PRSS1ACRF2
SCHEMBL18720209 0.77 PRSS1 (0.52) TMPRSS15PRSS1ACRPARP10F2
SCHEMBL10600357 0.74 PRSS1 (0.68) TMPRSS15PRSS1ACRPARP10F2
SCHEMBL19481593 0.74 PPARG (0.45) CPN1CPB2TMPRSS15PRSS1F2
SCHEMBL19481617 0.74 PPARG (0.45) CPN1CPB2TMPRSS15PRSS1F2
SCHEMBL7744358 0.74 PARP10 (0.74) TMPRSS15PRSS1ACRPARP10F2

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 CPN1 325/4885CPB2 939/4885TMPRSS15 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.