SCHEMBL20272601

SCHEMBL20272601

CCCCCCCCCCCCCC(=O)NCCCCC(NC)C(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCCC)NC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.58
▸ LPAR3 Q9UBY5 4/20 0.46
▸ LPAR1 Q92633 2/20 0.46
▸ SIRT2 Q8IXJ6 2/20 0.45
▸ CASP2 P42575 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.43
▸ NAAA Q02083 1/20 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
SCHEMBL14240494 0.91 GLP1R (0.70) GLP1RLPAR3LPAR1SIRT2SIRT6
SCHEMBL18359104 0.91 GLP1R (0.70) GLP1RLPAR3LPAR1SIRT2SIRT6
SCHEMBL18354362 0.91 GLP1R (0.70) GLP1RLPAR3LPAR1SIRT2SIRT6
SCHEMBL19057810 0.90 GLP1R (0.57) GLP1RLPAR3CASP2FAAHNOD1
SCHEMBL26803766 0.90 GLP1R (0.57) GLP1RLPAR3CASP2FAAHNOD1
SCHEMBL24155209 0.89 CASP2 (0.56) GLP1RLPAR3LPAR1CASP2SIRT6
SCHEMBL14642472 0.89 GLP1R (0.67) GLP1RLPAR3LPAR1SIRT2SIRT6
SCHEMBL22055442 0.89 GLP1R (0.67) GLP1RLPAR3LPAR1SIRT2SIRT6
SCHEMBL14642510 0.88 GLP1R (0.66) GLP1RLPAR3LPAR1SIRT2SIRT6
SCHEMBL15084764 0.88 GLP1R (0.66) GLP1RLPAR3LPAR1SIRT2SIRT6

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-10000447-B2 Compounds for targeting drug delivery and enhancing siRNA activity NITTO DENKO CORPORATION (JP) 2018-06-19 — — 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-10000447-B2 Compounds for targeting drug delivery and enhancing siRNA activity LDLR, RARG, FABP4 GLP1R 1614/4885LPAR3 197/4885LPAR1 74/4885

“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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