SCHEMBL16340730

SCHEMBL16340730

CC(=O)SCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 14/20 0.50
▸ CALCR P30988 14/20 0.50
▸ IL23R Q5VWK5 1/20 0.47
▸ APLNR P35414 1/20 0.47
▸ KDM1A O60341 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM1B Q8NB78 1/20 0.44
▸ NMUR2 Q9GZQ4 2/20 0.43
▸ NMUR1 Q9HB89 2/20 0.43

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
SCHEMBL12337799 0.92 RAMP3 (0.46) RAMP3CALCRIL23RAPLNRKDM1A
SCHEMBL16351203 0.91 RAMP3 (0.48) RAMP3CALCRIL23RAPLNRNMUR2
SCHEMBL12337845 0.91 RAMP3 (0.46) RAMP3CALCRIL23RAPLNRKDM1A
SCHEMBL16351204 0.87 RAMP3 (0.46) RAMP3CALCRIL23R
SCHEMBL12339085 0.87 RAMP3 (0.46) RAMP3CALCRIL23R
SCHEMBL12314876 0.85 RAMP3 (0.47) RAMP3CALCRIL23R
SCHEMBL13084645 0.85 RAMP3 (0.47) RAMP3CALCRIL23R
SCHEMBL12314880 0.85 RAMP3 (0.47) RAMP3CALCRIL23R
SCHEMBL13084700 0.85 RAMP3 (0.47) RAMP3CALCRIL23R
SCHEMBL16351202 0.84 OPRM1 (0.49) RAMP3CALCR

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-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use BRACCO SUISSE S.A. (CH) 2012-12-13 — — 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-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use VCAM1, FLT1, EDNRA RAMP3 1333/4885CALCR 928/4885IL23R 1888/4885

“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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