SCHEMBL7528040

SCHEMBL7528040

NC(=O)C1[C@@H](O)[C@H](O)CN1C(=O)C(O)[CH]Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
FUCA1 P04066 2/20 0.37
SLC15A1 P46059 1/20 0.33
AGTR2 P50052 3/20 0.33
GBA1 P04062 2/20 0.33
PTGFR P43088 3/20 0.32
GAA P10253 1/20 0.32
DPP4 P27487 1/20 0.32
MAPK1 P28482 1/20 0.32
ACE P12821 1/20 0.31
PTGER3 P43115 1/20 0.31

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
SCHEMBL7835398 1.00 TACR1 (0.38) TACR1SIRT1FUCA1SLC15A1AGTR2
SCHEMBL6052769 1.00 TACR1 (0.38) TACR1SIRT1FUCA1SLC15A1AGTR2
SCHEMBL2675548 1.00 TACR1 (0.38) TACR1SIRT1FUCA1SLC15A1AGTR2
SCHEMBL3141190 1.00 TACR1 (0.38) TACR1SIRT1FUCA1SLC15A1AGTR2
SCHEMBL6053005 0.93 TACR1 (0.40) TACR1SIRT1FUCA1SLC15A1AGTR2
SCHEMBL6494918 0.93 TACR1 (0.40) TACR1SIRT1FUCA1SLC15A1AGTR2
SCHEMBL6053036 0.83 TACR1 (0.48) TACR1SIRT1GAADPP4ACE
SCHEMBL7531133 0.81 TACR1 (0.44) TACR1DPP4ACE
SCHEMBL6052770 0.80 FUCA1 (0.40) TACR1SIRT1FUCA1GBA1GAA
SCHEMBL6052771 0.80 FUCA1 (0.40) TACR1SIRT1FUCA1GBA1GAA

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-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals HOOVER DENNIS J (US) 2002-03-07 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-20020028810-A1 Use in treating diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemias, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals PYGL, GPR119, PYGM TACR1 1639/4885SIRT1 802/4885FUCA1 2867/4885

“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.