SCHEMBL12417646

SCHEMBL12417646

NCCCCC(CC(=O)C(CCCCCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCN1C(=O)C=CC1=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCN1C(=O)C=CC1=O)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.32
▸ HRH1 P35367 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 1/20 0.30
▸ TPSAB1 Q15661 1/20 0.30

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
SCHEMBL12417564 0.81 PLG (0.34) ROCK2PLGPRSS1PRSS2PRSS3
SCHEMBL12417505 0.78 GLP1R (0.33) ROCK2
SCHEMBL12893030 0.78 ROCK2 (0.45) ROCK2PLGPRSS1PRSS2PRSS3
SCHEMBL16315596 0.71 AKT1 (0.40) —
SCHEMBL19982268 0.68 NMT2 (0.40) ROCK2
SCHEMBL14921199 0.68 ROCK2 (0.45) ROCK2
SCHEMBL16328743 0.68 OPRK1 (0.47) ROCK2
SCHEMBL12892953 0.68 ROCK2 (0.44) ROCK2PLGPRSS1PRSS2PRSS3
SCHEMBL26798857 0.67 KIF11 (0.42) —
SCHEMBL9363327 0.66 HPGDS (0.43) ROCK2HRH1

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-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 ROCK2 3836/4885HRH1 3730/4885PLG 417/4885

“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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