SCHEMBL20782452

SCHEMBL20782452

COc1ccc2c(Oc3cc(F)c(NS(N)(=O)=O)cc3F)ccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 11/20 0.48
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
FERMT2 Q96AC1 1/20 0.45
KDR P35968 6/20 0.45
MET P08581 5/20 0.45
AURKA O14965 1/20 0.45
TEK Q02763 1/20 0.45
AURKB Q96GD4 1/20 0.45
PDGFRA P16234 2/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KIT P10721 1/20 0.43
FGFR2 P21802 1/20 0.43
IGF1R P08069 3/20 0.42

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
SCHEMBL25681751 0.91 AXL (0.46) AXLENPP3ENPP1FERMT2KDR
SCHEMBL20782866 0.88 AXL (0.61) AXLENPP3ENPP1FERMT2KDR
SCHEMBL22407395 0.87 AXL (0.56) AXLKDRPDGFRAKITFGFR2
SCHEMBL20782601 0.85 AXL (0.53) AXLKDRMETFGFR2IGF1R
SCHEMBL22407406 0.83 HTR1A (0.44) AXLFERMT2KDRMETAURKA
SCHEMBL20782454 0.82 AXL (0.54) AXLENPP3ENPP1KDRMET
SCHEMBL20782672 0.81 KDR (0.51) AXLENPP3ENPP1KDRMET
SCHEMBL20775124 0.80 FGFR2 (0.55) AXLENPP3ENPP1KDRMET
SCHEMBL20782593 0.80 AXL (0.51) AXLENPP3ENPP1KDRMET
SCHEMBL15537238 0.80 MET (0.48) FERMT2KDRMETAURKATEK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 AXL 3774/4885ENPP3 2/4885ENPP1 1/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 AXL 3774/4885ENPP3 2/4885ENPP1 1/4885

“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.