SCHEMBL20782826

SCHEMBL20782826

COc1ccc2c(-c3ccc(NS(N)(=O)=O)cc3)ccnc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.71
ENPP1 P22413 1/20 0.71
TLR8 Q9NR97 3/20 0.57
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
KCNH2 Q12809 1/20 0.47
GRM4 Q14833 1/20 0.47
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
FERMT2 Q96AC1 1/20 0.44
IKBKB O14920 4/20 0.43
CHUK O15111 3/20 0.43
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43
PLAU P00749 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL22407404 0.92 ENPP3 (0.61) ENPP3ENPP1TLR8CA1CA2
SCHEMBL20775124 0.83 FGFR2 (0.55) ENPP3ENPP1CA1CA2MET
SCHEMBL20770893 0.83 ENPP1 (1.00) ENPP3ENPP1TLR8CA1CA2
SCHEMBL30105952 0.83 ENPP1 (1.00) ENPP3ENPP1TLR8CA1CA2
SCHEMBL28436096 0.82 TLR8 (0.61) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL22407537 0.82 ENPP3 (0.66) ENPP3ENPP1TLR8CA1CA2
SCHEMBL20782522 0.82 ENPP3 (0.66) ENPP3ENPP1TLR8KCNH2GRM4
Hydrochloric Acid SCHEMBL28436144 0.81 TLR8 (0.60) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL22407465 0.81 ENPP1 (0.80) ENPP3ENPP1TLR8CA1CA2
SCHEMBL22407348 0.81 ENPP1 (0.80) ENPP3ENPP1TLR8CA1CA2

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 ENPP3 2/4885ENPP1 1/4885TLR8 1420/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP3 2/4885ENPP1 1/4885TLR8 1420/4885

“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.