SCHEMBL22407352

SCHEMBL22407352

[2H]C([2H])([2H])Oc1ccc2c(-c3ccc(CNS(N)(=O)=O)cc3)ccnc2c1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.86
ENPP3 O14638 1/20 0.86
TLR8 Q9NR97 3/20 0.46
WNT3A P56704 1/20 0.40
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
KCNH2 Q12809 1/20 0.38
GRM4 Q14833 1/20 0.38
FERMT2 Q96AC1 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL20770893 0.93 ENPP1 (1.00) ENPP1ENPP3TLR8WNT3AHTR1A
SCHEMBL30105952 0.93 ENPP1 (1.00) ENPP1ENPP3TLR8WNT3AHTR1A
SCHEMBL22407357 0.85 ENPP1 (0.66) ENPP1ENPP3TLR8HTR1AADRA1D
SCHEMBL22407465 0.84 ENPP1 (0.80) ENPP1ENPP3TLR8WNT3AHTR1A
SCHEMBL22407404 0.84 ENPP3 (0.61) ENPP1ENPP3TLR8WNT3AHTR1A
SCHEMBL22435914 0.83 ENPP1 (0.76) ENPP1ENPP3TLR8WNT3AGRM4
SCHEMBL22407348 0.82 ENPP1 (0.80) ENPP1ENPP3TLR8WNT3AHTR1A
SCHEMBL24009119 0.81 ENPP1 (0.78) ENPP1ENPP3TLR8WNT3AHTR1A
SCHEMBL22407333 0.81 ENPP1 (0.74) ENPP1ENPP3CA12CA1CA2
SCHEMBL20782860 0.80 ENPP1 (0.71) ENPP1ENPP3GRM4FERMT2CA12

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 2 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 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 (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 2/4885TLR8 1420/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885ENPP3 2/4885TLR8 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.