SCHEMBL22407529

SCHEMBL22407529

COc1cc2nccc(-c3ccc(CN[SH](=O)=O)c(F)c3)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
KIT P10721 5/20 0.41
MET P08581 9/20 0.41
MST1R Q04912 3/20 0.41
KDR P35968 3/20 0.41
HGF P14210 1/20 0.41
BTK Q06187 1/20 0.40
PDGFRA P16234 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20770860 0.86 ENPP3 (0.53) FLT3METKDRBTK
SCHEMBL25681687 0.85 MET (0.46) FLT3KITMETMST1RKDR
SCHEMBL20782586 0.83 ENPP1 (0.54) FLT3KITMETBTK
SCHEMBL30446173 0.83 ENPP1 (0.54) FLT3KITMETBTK
SCHEMBL22407332 0.83 ENPP3 (0.50) METPDGFRAKMT2A
SCHEMBL22407456 0.83 KIT (0.61) KITKDRKMT2A
Methane SCHEMBL28438541 0.82 ENPP3 (0.49) METPDGFRAKMT2A
SCHEMBL22407561 0.82 ENPP3 (0.47) METMST1RKDRHGF
SCHEMBL22407611 0.81 ENPP1 (0.48) MET
SCHEMBL22407379 0.79 ENPP3 (0.53) FLT3METKDRPDGFRA

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 FLT3 916/4885KIT 4057/4885MET 3803/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 FLT3 916/4885KIT 4057/4885MET 3803/4885

“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.