SCHEMBL20008706

SCHEMBL20008706

NC(N)=Nc1ccc(C(=O)Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 1.00
ACR P10323 11/20 1.00
TMPRSS15 P98073 2/20 1.00
F2 P00734 4/20 0.84
PRSS2 P07478 4/20 0.84
PRSS3 P35030 4/20 0.84
HGFAC Q04756 2/20 0.77
TMPRSS2 O15393 1/20 0.69
KLK1 P06870 1/20 0.69
PLG P00747 1/20 0.67

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
SCHEMBL20008700 0.93 PRSS1 (0.88) PRSS1ACRTMPRSS15F2PRSS2
SCHEMBL70034 0.82 PARP10 (0.70) PRSS1ACRTMPRSS15F2
SCHEMBL11272755 0.80 PARP10 (0.89) PRSS1ACRTMPRSS15F2PRSS2
SCHEMBL30627528 0.80 PLG (1.00) PRSS1ACRTMPRSS15F2PRSS2
SCHEMBL5495712 0.79 PRSS1 (0.66) PRSS1ACRTMPRSS15F2PRSS2
SCHEMBL29358345 0.79 HGFAC (1.00) PRSS1ACRTMPRSS15F2PRSS2
SCHEMBL20008715 0.79 PRSS1 (0.78) PRSS1ACRTMPRSS15F2PRSS2
Hydrochloric Acid SCHEMBL30117920 0.78 HGFAC (0.97) PRSS1ACRTMPRSS15F2PRSS2
SCHEMBL8205435 0.78 PARP10 (0.78) PRSS1ACRTMPRSS15F2
SCHEMBL1870544 0.78 PARP10 (0.70) PRSS1ACRTMPRSS15F2

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.