SCHEMBL21845908

SCHEMBL21845908

CCCNC(=O)CCCCCNC(=O)[C@H](CCC(=O)NCCO)NC(=O)CN(CC(=O)NCCCCCC(=O)NCCO)CC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.40
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ LPAR3 Q9UBY5 4/20 0.36
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LPAR1 Q92633 2/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21846024 0.96 GLP1R (0.37) GLP1RSIRT2LPAR3HPGDMEN1
SCHEMBL13567279 0.86 HPGD (0.43) GLP1RSIRT2HPGDMEN1ALDH1A1
SCHEMBL21845955 0.83 GLP1R (0.33) GLP1RHPGDHTTSMN1; SMN2
SCHEMBL13743054 0.80 GLP1R (0.43) GLP1RSIRT2LPAR3HPGDMEN1
SCHEMBL30391652 0.79 MMP13 (0.39) GLP1R
SCHEMBL30391595 0.79 SELP (0.35) GLP1R
SCHEMBL13256493 0.79 SMN1; SMN2 (0.40) HPGDMEN1ALDH1A1KMT2AHTT
SCHEMBL16328781 0.78 LPAR3 (0.47) GLP1RSIRT2LPAR3HPGDMEN1
SCHEMBL30391948 0.78 MMP13 (0.38) GLP1R
SCHEMBL30392491 0.78 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 38/4885SIRT2 2508/4885LPAR3 4187/4885
US-11041009-B2 Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes GPR119, IAPP, INSR GLP1R 38/4885SIRT2 2508/4885LPAR3 4187/4885

“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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