SCHEMBL21845955

SCHEMBL21845955

C[C@H]1CC[C@H](O)[C@H](OCCNC(=O)CCCCCNC(=O)[C@H](CCC(=O)NCCO)NC(=O)CN(CC(=O)NCCCCCC(=O)NCCO)CC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)O1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.33
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL19841493 0.87 HPGD (0.34) HPGDHTTSMN1; SMN2
SCHEMBL19841490 0.87 HPGD (0.34) HPGDHTTSMN1; SMN2
SCHEMBL23317103 0.86 HPGD (0.31) HPGDHTTSMN1; SMN2
SCHEMBL21845910 0.86 GLP1R (0.31) GLP1R
SCHEMBL21846024 0.85 GLP1R (0.37) GLP1RHPGDHTTSMN1; SMN2
SCHEMBL30391595 0.85 SELP (0.35) GLP1R
SCHEMBL23519362 0.84 HPGD (0.32) HPGDHTTSMN1; SMN2
SCHEMBL30391652 0.84 MMP13 (0.39) GLP1R
SCHEMBL29454888 0.83 GLP1R (0.35) GLP1R
SCHEMBL30391948 0.83 MMP13 (0.38) GLP1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11041009-B2 Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
US-20200087375-A1 GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2020-03-19 — — 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 (2 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-20200087375-A1 GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES GPR119, IAPP, INSR GLP1R 38/4885HPGD 4299/4885HTT 2533/4885
US-11041009-B2 Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes GPR119, IAPP, INSR GLP1R 38/4885HPGD 4299/4885HTT 2533/4885

“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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