SCHEMBL22407573

SCHEMBL22407573

COc1cc2c(N3CCC(CCN[SH](=O)=O)CC3)ncnc2cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.53
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SIRT2 Q8IXJ6 7/20 0.41
SIRT1 Q96EB6 6/20 0.41
SIRT3 Q9NTG7 6/20 0.41
CYP2C9 P11712 1/20 0.41
MTNR1B P49286 1/20 0.40
CHRM4 P08173 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
SCHEMBL21358424 0.85 ENPP1 (0.71) ENPP1MAPK1
SCHEMBL29354481 0.85 ENPP1 (0.71) ENPP1MAPK1
SCHEMBL22407576 0.84 ENPP1 (0.75) ENPP1SIRT2SIRT1SIRT3
SCHEMBL22407463 0.84 ENPP1 (0.72) ENPP1MAPK1CYP1A2CYP2D6MTNR1B
SCHEMBL22407607 0.83 ENPP1 (0.62) ENPP1MAPK1CYP1A2CYP2D6
SCHEMBL22407359 0.83 ENPP1 (0.62) ENPP1MAPK1CYP1A2CYP2D6
SCHEMBL23727319 0.82 ENPP1 (0.73) ENPP1MAPK1
SCHEMBL22407453 0.82 ENPP1 (0.61) ENPP1MAPK1
SCHEMBL22407443 0.82 ENPP1 (0.61) ENPP1MAPK1
SCHEMBL22407459 0.82 ENPP1 (0.61) ENPP1CYP1A2CYP2D6MTNR1B

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 2004/4885CYP1A2 4167/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885MAPK1 2004/4885CYP1A2 4167/4885

“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.