SCHEMBL20782851

SCHEMBL20782851

COc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3OC)ccnc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.76
ENPP3 O14638 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.45
TLR8 Q9NR97 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
FERMT2 Q96AC1 1/20 0.42
SCN9A Q15858 8/20 0.42
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
SCN5A Q14524 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL20782411 0.90 ENPP1 (0.76) ENPP1ENPP3SMN1; SMN2TLR8HTR1A
SCHEMBL20782634 0.89 ENPP1 (0.74) ENPP1ENPP3TLR8HTR1AADRA1D
SCHEMBL20770893 0.86 ENPP1 (1.00) ENPP1ENPP3TLR8HTR1AADRA1D
SCHEMBL30105952 0.86 ENPP1 (1.00) ENPP1ENPP3TLR8HTR1AADRA1D
SCHEMBL20782855 0.83 ENPP1 (0.76) ENPP1ENPP3SMN1; SMN2TLR8HTR1A
SCHEMBL22407628 0.83 ENPP3 (0.52) ENPP1ENPP3TLR8HTR1AADRA1D
SCHEMBL20782741 0.80 ENPP1 (0.74) ENPP1ENPP3TLR8HTR1AADRA1D
SCHEMBL22407352 0.79 ENPP1 (0.86) ENPP1ENPP3TLR8HTR1AADRA1D
SCHEMBL22407348 0.78 ENPP1 (0.80) ENPP1ENPP3SMN1; SMN2TLR8HTR1A
SCHEMBL22407465 0.78 ENPP1 (0.80) ENPP1ENPP3TLR8HTR1AADRA1D

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 6 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-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 ENPP1 1/4885ENPP3 2/4885SMN1; SMN2 3306/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885ENPP3 2/4885SMN1; SMN2 3306/4885

“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.