SCHEMBL22407598

SCHEMBL22407598

[2H]C([2H])([2H])Oc1ccc2c(Oc3ccc(NS(N)(=O)=O)cc3Cl)ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KDR P35968 10/20 0.41
PDGFRA P16234 4/20 0.41
APP P05067 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
MET P08581 4/20 0.39
AXL P30530 3/20 0.39
MERTK Q12866 1/20 0.39
IGF1R P08069 2/20 0.39
AURKA O14965 1/20 0.39
TEK Q02763 1/20 0.39
AURKB Q96GD4 1/20 0.39
CYP3A4 P08684 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL20782727 0.93 HPGD (0.53) HPGDKDRPDGFRAAPPALDH1A1
SCHEMBL22407330 0.89 AXL (0.49) KDRPDGFRAENPP3ENPP1AXL
SCHEMBL20782446 0.83 AXL (0.52) KDRPDGFRAAPPENPP3ENPP1
SCHEMBL20782728 0.82 AXL (0.52) KDRPDGFRAAPPALDH1A1ENPP3
SCHEMBL20782601 0.81 AXL (0.53) KDRMETAXLIGF1RFGFR2
SCHEMBL20775124 0.80 FGFR2 (0.55) KDRPDGFRAENPP3ENPP1MET
SCHEMBL22436055 0.78 MET (0.43) KDRPDGFRAAPPENPP3ENPP1
SCHEMBL20782439 0.78 AXL (0.53) KDRENPP3ENPP1METAXL
SCHEMBL22407404 0.77 ENPP3 (0.61) ENPP3ENPP1
SCHEMBL25684429 0.77 AXL (0.49) KDRENPP3ENPP1METAXL

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 HPGD 559/4885KDR 2584/4885PDGFRA 624/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 HPGD 559/4885KDR 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.