SCHEMBL22407406

SCHEMBL22407406

COc1ccc2c(Oc3cc(F)c(N[SH](=O)=O)cc3F)ccnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
KDR P35968 9/20 0.44
PDGFRA P16234 4/20 0.44
AXL P30530 3/20 0.44
KIT P10721 1/20 0.44
FGFR2 P21802 1/20 0.44
FERMT2 Q96AC1 1/20 0.44
MET P08581 8/20 0.44
AURKA O14965 2/20 0.44
TEK Q02763 2/20 0.44
AURKB Q96GD4 1/20 0.44
IGF1R P08069 4/20 0.44
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
COQ8A Q8NI60 1/20 0.42
NLK Q9UBE8 1/20 0.42
TRPA1 O75762 1/20 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
SCHEMBL22407488 0.88 AXL (0.54) KDRPDGFRAAXLKITFGFR2
SCHEMBL22407393 0.87 PDGFRA (0.54) KDRPDGFRAAXLKITFGFR2
SCHEMBL22407579 0.85 MET (0.53) KDRPDGFRAFGFR2METIGF1R
SCHEMBL20782452 0.83 AXL (0.48) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL22407368 0.81 PDGFRB (0.53) KDRPDGFRAFGFR2METAURKA
SCHEMBL22407328 0.80 KDR (0.50) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL20775123 0.79 FGFR2 (0.57) KDRPDGFRAKITFGFR2MET
SCHEMBL15537238 0.79 MET (0.48) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL22407425 0.79 KDR (0.50) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL22407551 0.78 FGFR2 (0.53) KDRPDGFRAFGFR2GAKRIPK2

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 HTR1A 3415/4885ADRA1D 2380/4885ADRA1A 2139/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 HTR1A 3415/4885ADRA1D 2380/4885ADRA1A 2139/4885

“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.