SCHEMBL25683027

SCHEMBL25683027

COc1cc2nccc(-c3ccc(CNS(N)(=O)=O)cc3)c2cc1P

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 16/20 0.69
ENPP3 O14638 1/20 0.69
NR3C1 P04150 2/20 0.38
PGR P06401 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL22407333 0.91 ENPP1 (0.74) ENPP1ENPP3CA12CA1CA2
SCHEMBL20782623 0.88 ENPP1 (0.69) ENPP1ENPP3NR3C1PGR
SCHEMBL20770893 0.82 ENPP1 (1.00) ENPP1ENPP3CA12CA1CA2
SCHEMBL30105952 0.82 ENPP1 (1.00) ENPP1ENPP3CA12CA1CA2
SCHEMBL22407559 0.81 ENPP1 (0.72) ENPP1ENPP3CA12CA1CA2
SCHEMBL20782441 0.78 ENPP1 (0.71) ENPP1ENPP3
SCHEMBL22407352 0.77 ENPP1 (0.86) ENPP1ENPP3CA12CA1CA2
SCHEMBL20782586 0.76 ENPP1 (0.54) ENPP1ENPP3
SCHEMBL30446173 0.76 ENPP1 (0.54) ENPP1ENPP3
SCHEMBL20782860 0.76 ENPP1 (0.71) ENPP1ENPP3NR3C1PGRCA12

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885ENPP3 2/4885NR3C1 1627/4885

“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.