SCHEMBL22407446

SCHEMBL22407446

COc1ccc2c(Oc3ccc(N[SH](=O)=O)cc3Cl)ccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.48
APP P05067 1/20 0.48
PDGFRA P16234 8/20 0.47
FGFR2 P21802 1/20 0.46
HPGD P15428 1/20 0.45
MET P08581 4/20 0.44
AURKA O14965 1/20 0.44
TEK Q02763 1/20 0.44
AURKB Q96GD4 1/20 0.44
IGF1R P08069 2/20 0.44
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
COQ8A Q8NI60 1/20 0.42
NLK Q9UBE8 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
SCHEMBL22407551 0.89 FGFR2 (0.53) KDRAPPPDGFRAFGFR2GAK
SCHEMBL22407532 0.88 FGFR2 (0.46) KDRAPPPDGFRAFGFR2MET
SCHEMBL22407579 0.87 MET (0.53) KDRPDGFRAFGFR2METIGF1R
SCHEMBL20775123 0.86 FGFR2 (0.57) KDRPDGFRAFGFR2METAURKA
SCHEMBL22407423 0.84 AXL (0.46) KDRAPPPDGFRAFGFR2MET
SCHEMBL20782727 0.83 HPGD (0.53) KDRAPPPDGFRAFGFR2HPGD
SCHEMBL22407425 0.81 KDR (0.50) KDRPDGFRAFGFR2METAURKA
SCHEMBL22407518 0.81 FGFR2 (0.46) KDRPDGFRAFGFR2METAURKA
SCHEMBL15537840 0.79 KDR (0.48) KDRAPPPDGFRAFGFR2MET
SCHEMBL22407621 0.78 KDR (0.45) KDRPDGFRAFGFR2METAURKA

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 KDR 2584/4885APP 3909/4885PDGFRA 624/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 KDR 2584/4885APP 3909/4885PDGFRA 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.