SCHEMBL22407613

SCHEMBL22407613

NS(=O)(=O)NCCC1CCN(c2ncnc3cc(OC(F)(F)F)ccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 16/20 0.68
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KIT P10721 1/20 0.43

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
SCHEMBL22407630 0.93 ENPP1 (0.79) ENPP1SIRT2SIRT1SIRT3PDE3B
SCHEMBL22407460 0.89 ENPP1 (0.85) ENPP1CYP1A2CYP2D6SIRT2SIRT1
SCHEMBL25682644 0.85 ENPP1 (0.80) ENPP1SIRT2SIRT1SIRT3
SCHEMBL22407612 0.85 CYP1A2 (0.50) ENPP1CYP1A2CYP2D6PDE3BPDE3A
SCHEMBL20782514 0.81 ENPP1 (1.00) ENPP1
SCHEMBL20775168 0.81 ENPP1 (0.70) ENPP1CYP1A2CYP2D6SIRT2SIRT1
SCHEMBL20814046 0.80 ENPP1 (0.63) ENPP1CYP1A2CYP2D6PDE3BPDE3A
SCHEMBL31502049 0.80 ENPP1 (0.63) ENPP1CYP1A2CYP2D6PDE3BPDE3A
SCHEMBL20782809 0.79 ENPP1 (0.64) ENPP1CYP1A2CYP2D6SIRT2SIRT1
SCHEMBL24391807 0.79 ENPP1 (0.69) ENPP1KIT

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 4 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

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 1/4885CYP1A2 4167/4885CYP2D6 4229/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885CYP1A2 4167/4885CYP2D6 4229/4885

“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.