SCHEMBL22407559

SCHEMBL22407559

COc1cc2nccc(-c3ccc(CNS(N)(=O)=O)cc3)c2cn1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 11/20 0.72
ENPP3 O14638 1/20 0.72
HDAC1 Q13547 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
PIK3CA P42336 2/20 0.37
LMNA P02545 1/20 0.37
KIF11 P52732 1/20 0.37
GRM2 Q14416 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL22407333 0.84 ENPP1 (0.74) ENPP1ENPP3CA12CA1CA2
SCHEMBL20770893 0.83 ENPP1 (1.00) ENPP1ENPP3CA12CA1CA2
SCHEMBL30105952 0.83 ENPP1 (1.00) ENPP1ENPP3CA12CA1CA2
SCHEMBL22407557 0.82 ENPP3 (0.48) ENPP1ENPP3HDAC1PIK3CAGRM2
SCHEMBL25683027 0.81 ENPP1 (0.69) ENPP1ENPP3CA12CA1CA2
SCHEMBL20782623 0.81 ENPP1 (0.69) ENPP1ENPP3PIK3CAKIF11PIK3CD
SCHEMBL24010160 0.80 ENPP3 (0.46) ENPP1ENPP3PIK3CAGRM2PIK3CD
SCHEMBL20782680 0.79 ENPP1 (0.64) ENPP1ENPP3HDAC1CA12CA1
SCHEMBL22407352 0.79 ENPP1 (0.86) ENPP1ENPP3CA12CA1CA2
SCHEMBL22407575 0.78 ENPP1 (0.72) ENPP1ENPP3HDAC1CA12CA1

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 5 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

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 2/4885HDAC1 960/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885ENPP3 2/4885HDAC1 960/4885

“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.