SCHEMBL23772016

SCHEMBL23772016

CC(C)(C)c1c[nH]cc(C(=O)NS(C)(=O)=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.39
CFTR P13569 7/20 0.35
ADORA3 P0DMS8 1/20 0.33
ADRB3 P13945 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
AGTR1 P30556 1/20 0.33
MC4R P32245 1/20 0.33
PTGS2 P35354 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
SCN9A Q15858 5/20 0.32
SCN5A Q14524 1/20 0.32
GRIN2D O15399 1/20 0.32

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
SCHEMBL23772062 0.80 CREBBP (0.36) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL23772031 0.80 MYC (0.38) MYCSCN9ASCN5ARBP4
SCHEMBL23772087 0.74 NOTUM (0.47)
SCHEMBL23772007 0.73 L3MBTL1 (0.37) CFTR
SCHEMBL7986990 0.72 MYC (0.53) MYCSCN9ARBP4PLA2G7
SCHEMBL23772005 0.70 PRKAB2 (0.35) MYCCFTRPRKAB2PRKAG1PRKAA2
SCHEMBL23771937 0.68 NPC1 (0.52)
SCHEMBL23772010 0.67 CNR2 (0.41) MYCSCN9ASCN5A
SCHEMBL23771973 0.67 MYC (0.40) MYCSCN9ASCN5A
SCHEMBL7990830 0.62 HDAC1 (0.66) SCN9A

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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 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 (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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS MYC 1452/4885CFTR 2370/4885ADORA3 1798/4885

“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.