SCHEMBL22407488

SCHEMBL22407488

COc1ccc2c(Oc3ccc(N[SH](=O)=O)c(F)c3)ccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 11/20 0.54
KDR P35968 7/20 0.54
PDGFRA P16234 4/20 0.54
FGFR2 P21802 2/20 0.54
KIT P10721 1/20 0.54
AURKA O14965 3/20 0.49
MET P08581 3/20 0.49
TEK Q02763 3/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL22407368 0.89 PDGFRB (0.53) KDRPDGFRAFGFR2AURKAMET
SCHEMBL22407406 0.88 HTR1A (0.44) AXLKDRPDGFRAFGFR2KIT
SCHEMBL22407328 0.88 KDR (0.50) KDRPDGFRAFGFR2AURKAMET
SCHEMBL22407425 0.87 KDR (0.50) AXLKDRPDGFRAFGFR2KIT
SCHEMBL22407308 0.84 KDR (0.47) KDRPDGFRAFGFR2AURKAMET
SCHEMBL20782866 0.83 AXL (0.61) AXLKDRPDGFRAFGFR2KIT
SCHEMBL20775123 0.82 FGFR2 (0.57) KDRPDGFRAFGFR2KITAURKA
SCHEMBL22407579 0.81 MET (0.53) KDRPDGFRAFGFR2MET
SCHEMBL22407371 0.81 KDR (0.51) KDRPDGFRAFGFR2AURKAMET
SCHEMBL14540589 0.79 MET (0.55) AXLKDRPDGFRAFGFR2KIT

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 AXL 3774/4885KDR 2584/4885PDGFRA 624/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 AXL 3774/4885KDR 2584/4885PDGFRA 624/4885

“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.