SCHEMBL22407501

SCHEMBL22407501

COc1cc2ncnc(N3CCC(CCN[SH](=O)=O)CC3)c2cc1OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.64
MAPK1 P28482 1/20 0.52
PDGFRB P09619 5/20 0.51
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
HTR1A P08908 3/20 0.49
PDE10A Q9Y233 1/20 0.48
HTR7 P34969 2/20 0.48
CSF1R P07333 1/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL21358424 0.93 ENPP1 (0.71) ENPP1MAPK1ACHEBACE1HTR1A
SCHEMBL29354481 0.93 ENPP1 (0.71) ENPP1MAPK1ACHEBACE1HTR1A
SCHEMBL23727319 0.90 ENPP1 (0.73) ENPP1MAPK1ACHEBACE1HTR1A
SCHEMBL22407607 0.87 ENPP1 (0.62) ENPP1MAPK1ACHEBACE1HTR1A
SCHEMBL22407359 0.87 ENPP1 (0.62) ENPP1MAPK1ACHEBACE1HTR1A
SCHEMBL22407453 0.86 ENPP1 (0.61) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL22407443 0.86 ENPP1 (0.61) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL20782509 0.85 ENPP1 (0.88) ENPP1
SCHEMBL22407331 0.83 ENPP1 (0.66) ENPP1MAPK1PDGFRBACHEBACE1
SCHEMBL29355270 0.83 ENPP1 (0.60) ENPP1MAPK1PDGFRBACHEBACE1

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 2 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-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 1/4885MAPK1 2004/4885PDGFRB 488/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885MAPK1 2004/4885PDGFRB 488/4885

“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.