SCHEMBL20782860

SCHEMBL20782860

NS(=O)(=O)NCc1ccc(-c2ccnc3cc(F)ccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 7/20 0.71
ENPP3 O14638 1/20 0.71
KIF11 P52732 1/20 0.44
FERMT2 Q96AC1 1/20 0.41
GRM4 Q14833 1/20 0.41
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
PIK3CA P42336 3/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NSD2 O96028 1/20 0.39
MYC P01106 1/20 0.39
NSD3 Q9BZ95 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
SCHEMBL20770893 0.83 ENPP1 (1.00) ENPP1ENPP3FERMT2GRM4CA2
SCHEMBL30105952 0.83 ENPP1 (1.00) ENPP1ENPP3FERMT2GRM4CA2
SCHEMBL22407517 0.81 ENPP3 (0.47) ENPP1ENPP3FERMT2GRM4AAK1
SCHEMBL22407352 0.80 ENPP1 (0.86) ENPP1ENPP3FERMT2GRM4CA2
SCHEMBL22435914 0.80 ENPP1 (0.76) ENPP1ENPP3KIF11GRM4CA2
SCHEMBL20782623 0.80 ENPP1 (0.69) ENPP1ENPP3KIF11NR3C1PGR
SCHEMBL22407333 0.79 ENPP1 (0.74) ENPP1ENPP3CA2CA12CA1
SCHEMBL22407559 0.77 ENPP1 (0.72) ENPP1ENPP3KIF11CA2CA12
SCHEMBL6660966 0.77 GRM4 (0.56) FERMT2GRM4AAK1PIK3CANSD2
SCHEMBL25683027 0.76 ENPP1 (0.69) ENPP1ENPP3CA2CA12CA1

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 6 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
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
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO 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 ENPP1 1/4885ENPP3 2/4885KIF11 4591/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885ENPP3 2/4885KIF11 4591/4885

“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.