SCHEMBL20964467

SCHEMBL20964467

COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.60
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
CTSL P07711 3/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
KLKB1 P03952 2/20 0.46
GPR132 Q9UNW8 1/20 0.46
HPGDS O60760 1/20 0.46
ERAP2 Q6P179 1/20 0.45
LNPEP Q9UIQ6 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
SCHEMBL20964465 0.90 PRSS1 (0.54) GPR139PRSS1PRSS2PRSS3CTSL
SCHEMBL24179836 0.88 GPR139 (0.61) GPR139PRSS1PRSS2PRSS3CTSL
SCHEMBL20964423 0.88 PRSS1 (0.61) PRSS1PRSS2PRSS3CTSLCTSS
SCHEMBL20964413 0.85 PRSS1 (0.57) PRSS1PRSS2PRSS3CTSLCTSS
SCHEMBL20964463 0.83 GHSR (0.46) PRSS1PRSS2PRSS3CTSL
SCHEMBL24179837 0.83 PSMB5 (0.52) PRSS1PRSS2PRSS3CTSL
SCHEMBL24179827 0.82 PRSS1 (0.58) PRSS1PRSS2PRSS3CTSLCTSS
SCHEMBL20964453 0.82 PTPN1 (0.57) PRSS1PRSS2PRSS3CTSL
SCHEMBL24179824 0.82 PRSS1 (0.54) PRSS1PRSS2PRSS3CTSLHPGDS
SCHEMBL20964434 0.82 PRSS1 (0.54) PRSS1PRSS2PRSS3CTSLHPGDS

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-20190127419-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS RESEARCH TRIANGLE INSTITUTE 2019-05-02 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-20190127419-A1 NEUROPEPTIDE S RECEPTOR (NPSR) AGONISTS NPSR1, GRPR, NPBWR1 GPR139 43/4885PRSS1 195/4885PRSS2 395/4885

“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.