SCHEMBL12417564

SCHEMBL12417564

NCCCCC(CC(=O)C(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ GLP1R P43220 8/20 0.34
▸ ROCK2 O75116 2/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ AKT3 Q9Y243 1/20 0.32
▸ FOLH1 Q04609 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ TLR2 O60603 1/20 0.31
▸ CCKAR P32238 1/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRND Q07001 1/20 0.31

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
SCHEMBL12417505 0.88 GLP1R (0.33) GLP1RROCK2PRKACAAKT3
SCHEMBL12892953 0.85 ROCK2 (0.44) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL16328751 0.82 TLR2 (0.42) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL12417646 0.81 ROCK2 (0.32) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL16328767 0.79 TLR2 (0.42) GLP1RROCK2PRKACAAKT3TLR2
SCHEMBL23077727 0.78 GLP1R (0.49) GLP1RFOLH1
SCHEMBL15919171 0.78 GLP1R (0.49) GLP1RFOLH1
SCHEMBL17287165 0.78 GLP1R (0.49) GLP1RFOLH1
SCHEMBL22967415 0.78 GLP1R (0.46) GLP1RFOLH1
SCHEMBL12892897 0.78 GLP1R (0.39) PLGPRSS1PRSS2PRSS3TPSAB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450097-B2 Protein-proteophore complexes ASCENDIS PHARMA GMBH (DE) 2013-05-28 — — US disclosed
US-20110172390-A1 Protein-Proteophore Complexes ASCENDIS PHARMA A/S (DK) 2011-07-14 — — 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-20110172390-A1 Protein-Proteophore Complexes PSMG3, PSME1, PSMD11 PLG 417/4885PRSS1 479/4885PRSS2 869/4885

“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.

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