SCHEMBL24616797

SCHEMBL24616797

CC(=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](CCC(N)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=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 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ GNPAT O15228 1/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ TASP1 Q9H6P5 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ BMP1 P13497 1/20 0.42
▸ YWHAZ P63104 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ TFPI P10646 1/20 0.39
▸ NOD2 Q9HC29 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
SCHEMBL22640930 0.97 PTPN1 (0.47) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL22640906 0.92 PTPN1 (0.47) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL22640932 0.92 PTPN1 (0.47) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL22640907 0.92 PTPN1 (0.47) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL24616810 0.92 PTPN1 (0.47) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL31497323 0.90 PTPN1 (0.48) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL22640931 0.90 PTPN1 (0.47) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL29517483 0.90 GNPAT (0.53) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL24616717 0.90 ACE (0.47) SIRT5SIRT2GNPATPTPN1TASP1
SCHEMBL24616731 0.90 ACE (0.47) SIRT5SIRT2GNPATPTPN1TASP1

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 SIRT5 2090/4885SIRT2 1622/4885GNPAT 1017/4885

“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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