SCHEMBL20510397

SCHEMBL20510397

O=C(O)CN(CCCC(=O)OCc1ccccc1)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA4 P22748 4/20 0.55
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
ALOX5 P09917 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA1A P35348 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
SCHEMBL20510726 0.89 CA1 (0.49) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL1404476 0.88 CA1 (0.55) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL9162085 0.88 CA1 (0.68) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL19862467 0.88 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1ALOX5
SCHEMBL17879692 0.87 CA1 (0.60) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL13589983 0.86 CA1 (0.68) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL3093075 0.86 CA1 (0.68) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL28893742 0.85 HTT (0.52) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL19862469 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1ALOX5
SCHEMBL20510611 0.84 CA1 (0.44) CA1CA2CA4ALDH1A1MAPK1

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 4 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
EP-3600381-A1 GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES Merck Sharp & Dohme Corp. (US) 2020-02-05 EP disclosed
WO-2018175272-A1 GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME CORP. (US) 2018-09-27 WO 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 CA1 3572/4885CA2 3291/4885CA4 961/4885
US-11041009-B2 Glucose responsive insulin comprising a tri-valent sugar cluster for treatment of diabetes GPR119, IAPP, INSR CA1 3572/4885CA2 3291/4885CA4 961/4885

“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.