SCHEMBL20782845

SCHEMBL20782845

COc1cc2c(cc1OC)N(Cc1ccc(NS(N)(=O)=O)cc1)C(=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.47
ABCB1 P08183 2/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC6 Q9UBN7 7/20 0.42
HDAC1 Q13547 4/20 0.42
TRIM24 O15164 2/20 0.41
HDAC8 Q9BY41 3/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 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
SCHEMBL25682505 0.88 ABCB1 (0.45) ENPP1ABCB1HDAC6HDAC1TRIM24
SCHEMBL22407450 0.82 HDAC6 (0.43) ABCB1HDAC6HDAC1HDAC8POLB
SCHEMBL3050378 0.78 CA12 (0.47) CA1CA2CA12CA9TRIM24
SCHEMBL3171813 0.77 POLB (0.51) CA1CA2CA12CA9TRIM24
SCHEMBL3049372 0.75 HDAC6 (0.52) HDAC6HDAC1HDAC8KMT2A
SCHEMBL3182417 0.74 HDAC6 (0.56) HDAC6POLB
SCHEMBL3171208 0.74 POLB (0.56) HDAC6POLBBRD4
SCHEMBL3058816 0.72 CA2 (0.43) CA1CA2CA12CA9KMT2A
SCHEMBL3055179 0.72 HDAC6 (0.55) HDAC6POLB
SCHEMBL3055359 0.72 CYP1A2 (0.47) CA1CA2CA12CA9POLB

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-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 1/4885ABCB1 4078/4885CA1 4595/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885ABCB1 4078/4885CA1 4595/4885

“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.