SCHEMBL25087397

SCHEMBL25087397

CNC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.45
SIRT1 Q96EB6 8/20 0.45
SIRT3 Q9NTG7 8/20 0.45
SIRT6 Q8N6T7 6/20 0.44
SIRT5 Q9NXA8 2/20 0.44
FURIN P09958 1/20 0.42
MMP1 P03956 3/20 0.42
MMP9 P14780 3/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP8 P22894 2/20 0.42
ADAM17 P78536 1/20 0.41

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
SCHEMBL25087396 0.76 F12 (0.47)
SCHEMBL16480283 0.74 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT6SIRT5
SCHEMBL19473957 0.73 SIRT2 (0.49) SIRT2SIRT1SIRT3FURIN
SCHEMBL19474012 0.71 MC4R (0.45) SIRT2SIRT1SIRT3FURIN
SCHEMBL19473950 0.71 MC4R (0.61) FURIN
SCHEMBL18717178 0.71 SIRT2 (0.47) SIRT2SIRT1SIRT3FURIN
SCHEMBL19473857 0.70 MC4R (0.58) FURIN
SCHEMBL19473818 0.70 FCGRT (0.50) FURIN
SCHEMBL22834029 0.69 HPN (0.56) SIRT2SIRT1SIRT3FURIN
SCHEMBL22834028 0.69 HPN (0.56) SIRT2SIRT1SIRT3FURIN

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-20230063420-A1 LONG ACTING GLUCAGON LIKE POLYPEPTIDE-1 (GLP-1) RECEPTOR AGONISTS AND METHODS OF USE I2O THERAPEUTICS, INC. 2023-03-02 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-20230063420-A1 LONG ACTING GLUCAGON LIKE POLYPEPTIDE-1 (GLP-1) RECEPTOR AGONISTS AND METHODS OF USE GLP1R, GIPR, GCGR SIRT2 177/4885SIRT1 148/4885SIRT3 544/4885

“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.