SCHEMBL12892953

SCHEMBL12892953

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.44
▸ PRKACA P17612 6/20 0.44
▸ AKT3 Q9Y243 6/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ GLP1R P43220 8/20 0.40
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ CXCR4 P61073 1/20 0.37

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
SCHEMBL16328751 0.97 TLR2 (0.42) ROCK2PRKACAAKT3TLR2GLP1R
SCHEMBL12892897 0.92 GLP1R (0.39) ROCK2PRKACAAKT3TLR2GLP1R
SCHEMBL16328767 0.91 TLR2 (0.42) ROCK2PRKACAAKT3TLR2GLP1R
SCHEMBL12892973 0.90 TLR2 (0.41) ROCK2PRKACAAKT3TLR2GLP1R
SCHEMBL12893030 0.88 ROCK2 (0.45) ROCK2PRKACAAKT3TLR2GLP1R
SCHEMBL25825650 0.86 GLP1R (0.51) TLR2GLP1R
SCHEMBL13753618 0.86 GLP1R (0.51) TLR2GLP1R
SCHEMBL12417564 0.85 PLG (0.34) ROCK2PRKACAAKT3TLR2GLP1R
SCHEMBL16329599 0.84 GLP1R (0.51) GLP1R
SCHEMBL16329790 0.84 GLP1R (0.51) GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879588-B2 Protein-proteophore complexes ASCENDIS PHARMA A/S (DK) 2011-02-01 — — US disclosed
US-20070020224-A1 Protein-proteophore complexes ASCENDIS PHARMA GMBH (DE) 2007-01-25 — — US disclosed
US-20070020224-A1 Protein-proteophore complexes ASCENDIS PHARMA GMBH (DE) 2007-01-25 — — 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-20070020224-A1 Protein-proteophore complexes PSMG3, PSME1, PSMD11 ROCK2 3836/4885PRKACA 3578/4885AKT3 2469/4885

“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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