SCHEMBL22407532

SCHEMBL22407532

COc1ccc2c(Oc3ccc(N[SH](=O)=O)cc3C)ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.46
KDR P35968 12/20 0.45
PDGFRA P16234 4/20 0.45
CSF1R P07333 9/20 0.44
PDGFRB P09619 9/20 0.44
MET P08581 3/20 0.44
AURKA O14965 1/20 0.44
TEK Q02763 1/20 0.44
AURKB Q96GD4 1/20 0.44
AXL P30530 1/20 0.44
IGF1R P08069 1/20 0.44
APP P05067 1/20 0.44
GAK O14976 1/20 0.43
RIPK2 O43353 1/20 0.43
COQ8A Q8NI60 1/20 0.43
NLK Q9UBE8 1/20 0.43
FLT3 P36888 1/20 0.43

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 0.90 FGFR2 (0.53) FGFR2KDRPDGFRACSF1RPDGFRB
SCHEMBL22407579 0.88 MET (0.53) FGFR2KDRPDGFRAMETIGF1R
SCHEMBL22407446 0.88 KDR (0.48) FGFR2KDRPDGFRAMETAURKA
SCHEMBL20775123 0.87 FGFR2 (0.57) FGFR2KDRPDGFRAMETAURKA
SCHEMBL22407621 0.86 KDR (0.45) FGFR2KDRPDGFRACSF1RPDGFRB
SCHEMBL22407423 0.85 AXL (0.46) FGFR2KDRPDGFRACSF1RPDGFRB
SCHEMBL20782728 0.83 AXL (0.52) FGFR2KDRPDGFRACSF1RPDGFRB
SCHEMBL22407518 0.82 FGFR2 (0.46) FGFR2KDRPDGFRACSF1RPDGFRB
SCHEMBL22407328 0.81 KDR (0.50) FGFR2KDRPDGFRACSF1RPDGFRB
SCHEMBL22407371 0.78 KDR (0.51) FGFR2KDRPDGFRACSF1RPDGFRB

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 FGFR2 4496/4885KDR 2584/4885PDGFRA 624/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 FGFR2 4496/4885KDR 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.