SCHEMBL22703468

SCHEMBL22703468

COC(=O)[C@@H](N)CCOCCOCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.43
▸ NOS1 P29475 2/20 0.43
▸ NOS2 P35228 2/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.30
▸ ABCB1 P08183 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
SCHEMBL22703139 0.88 NOS3 (0.41) NOS3NOS1NOS2ABCG2ABCB1
SCHEMBL17747031 0.84 LTA4H (0.33) —
SCHEMBL17747029 0.84 LTA4H (0.33) —
SCHEMBL30932937 0.74 L3MBTL1 (0.43) NOS3NOS1NOS2ABCG2
SCHEMBL24648741 0.73 TSHR (0.42) NOS3NOS1NOS2
SCHEMBL23566825 0.73 NOS2 (0.55) NOS3NOS1NOS2ABCG2
SCHEMBL23566826 0.73 NOS2 (0.55) NOS3NOS1NOS2ABCG2
SCHEMBL13625040 0.73 MGMT (0.31) —
SCHEMBL18906771 0.72 TTR (0.34) ABCG2ABCB1
SCHEMBL18906417 0.72 TTR (0.34) ABCG2ABCB1

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-20200369613-A1 INTEGRIN LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2020-11-26 — — 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-20200369613-A1 INTEGRIN LIGANDS AND USES THEREOF ITGB6, ITGA6, ITGAV NOS3 4814/4885NOS1 4695/4885NOS2 4802/4885

“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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