SCHEMBL20782821

SCHEMBL20782821

COc1ccc2c(Oc3ccc(NS(N)(=O)=O)cc3)cc(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
KCNH2 Q12809 2/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NQO2 P16083 1/20 0.41
STAT3 P40763 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
PKM P14618 1/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL20775124 0.82 FGFR2 (0.55) CA1CA2
SCHEMBL22407353 0.81 POLB (0.44) KCNH2POLBRAD52NPSR1NQO2
SCHEMBL24010120 0.79 NPSR1 (0.44) KCNH2POLBRAD52NPSR1NQO2
SCHEMBL20782442 0.76 CSF1R (0.64) CA1CA2
SCHEMBL20782868 0.76 CA1 (0.51) CA1CA2POLBMEN1KMT2A
SCHEMBL20782728 0.73 AXL (0.52) CA1CA2NPSR1PGRALDH1A1
SCHEMBL20782446 0.72 AXL (0.52) CA1CA2
SCHEMBL1645328 0.72 CA1 (1.00) CA1CA2NPSR1LMNAPGR
SCHEMBL22407508 0.71 CA1 (0.51) CA1CA2LMNATSHRHTT
SCHEMBL20782518 0.71 FGFR2 (0.53)

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 CA1 4595/4885CA2 4105/4885KCNH2 4751/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 CA1 4595/4885CA2 4105/4885KCNH2 4751/4885

“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.