SCHEMBL24648741

SCHEMBL24648741

CCOCC[C@@H](N)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
THRB P10828 1/20 0.37
SLC1A1 P43005 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
LTA4H P09960 2/20 0.35
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL10684344 0.86 ALDH1A1 (0.43) TSHRALDH1A1NOS3NOS1NOS2
SCHEMBL8348874 0.82 NOS3 (0.37) NOS3NOS1NOS2CA1CA2
SCHEMBL6983472 0.81 SLC1A1 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL23419880 0.81 SLC1A1 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL8348754 0.81 SLC1A1 (0.39) NOS3NOS1NOS2CA1CA2
SCHEMBL11776470 0.80 SMN1; SMN2 (0.42) TSHRALDH1A1CA1CA2SLC1A1
SCHEMBL15707495 0.79 ALDH1A1 (0.44) TSHRALDH1A1SLC1A1
Hydrochloric Acid SCHEMBL29262798 0.79 SLC1A1 (0.38) ALDH1A1NOS3NOS1NOS2CA1
Hydrochloric Acid SCHEMBL29262795 0.79 SLC1A1 (0.38) ALDH1A1NOS3NOS1NOS2CA1
SCHEMBL18593302 0.79 TSHR (0.38) TSHRALDH1A1NOS3NOS1NOS2

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-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2022-11-17 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-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF TGFBR2, SMAD2, ACVR2A TSHR 792/4885ALDH1A1 1720/4885NOS3 2901/4885

“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.