SCHEMBL22407535

SCHEMBL22407535

COc1ccc2c(-c3ccc(C(C)N[SH](=O)=O)cc3)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.53
ENPP1 P22413 1/20 0.53
TLR8 Q9NR97 4/20 0.52
KCNH2 Q12809 1/20 0.45
GRM4 Q14833 1/20 0.45
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 0.40
GAK O14976 1/20 0.39
RIPK2 O43353 1/20 0.39
COQ8A Q8NI60 1/20 0.39
NLK Q9UBE8 1/20 0.39
BMP4 P12644 1/20 0.39
WNT3A P56704 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CIT O14578 1/20 0.37
FGFR2 P21802 1/20 0.36

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
SCHEMBL28034143 0.83 TLR8 (0.61) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL22407537 0.82 ENPP3 (0.66) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL22407496 0.81 ENPP3 (0.57) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL20770889 0.78 ENPP3 (0.69) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL22407498 0.77 ENPP3 (0.53) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL20782631 0.76 ENPP3 (0.61) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL28436096 0.75 TLR8 (0.61) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL9159084 0.75 GRM4 (0.67) ENPP3ENPP1TLR8KCNH2GRM4
Hydrochloric Acid SCHEMBL28436144 0.74 TLR8 (0.60) ENPP3ENPP1TLR8KCNH2GRM4
SCHEMBL22407471 0.74 ENPP3 (0.60) ENPP3ENPP1TLR8KCNH2GRM4

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 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.