SCHEMBL24616800

SCHEMBL24616800

CC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ GNPAT O15228 1/20 0.45
▸ NMT2 O60551 1/20 0.44
▸ NMT1 P30419 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ SIRT5 Q9NXA8 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ TFPI P10646 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ FURIN P09958 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL22640914 0.99 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29517235 0.93 GNPAT (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24616812 0.93 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24616813 0.92 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22648216 0.92 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24616717 0.92 ACE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22640904 0.92 ACE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22640901 0.92 ACE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24616731 0.92 ACE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22640912 0.92 ACE (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20220220155-A1 VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2022-07-14 — — 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-20220220155-A1 VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF LDLR, APOB, HDLBP GRIN2D 3638/4885GRIN3B 1738/4885GRIN1 2197/4885

“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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