SCHEMBL22407571

SCHEMBL22407571

COc1ccc2c(c1)OCC(=O)N2Cc1ccc(N[SH](=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
BRD4 O60885 1/20 0.42
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMPD1 P17405 1/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
F10 P00742 1/20 0.41
MAPT P10636 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL25685666 0.83 L3MBTL1 (0.58) L3MBTL1ITGB3ITGA2BBRD4CBX7
SCHEMBL20782632 0.83 L3MBTL1 (0.58) L3MBTL1ITGB3ITGA2BBRD4CBX7
SCHEMBL6096108 0.80 L3MBTL1 (0.72) L3MBTL1BRD4CBX7CDYL2CDYL
SCHEMBL15176632 0.79 L3MBTL1 (0.70) L3MBTL1ITGB3ITGA2BBRD4ALDH1A1
SCHEMBL6096494 0.79 L3MBTL1 (0.70) L3MBTL1ITGB3ITGA2BBRD4CBX7
SCHEMBL4479986 0.78 L3MBTL1 (0.59) L3MBTL1BRD4CBX7CDYL2CDYL
SCHEMBL4477873 0.77 L3MBTL1 (0.58) L3MBTL1BRD4CBX7CDYL2CDYL
SCHEMBL16794826 0.76 L3MBTL1 (0.66) L3MBTL1ITGB3ITGA2BCBX7CDYL2
SCHEMBL18581323 0.76 L3MBTL1 (0.62) L3MBTL1ITGB3ITGA2BALDH1A1
SCHEMBL29790735 0.76 L3MBTL1 (0.62) L3MBTL1ITGB3ITGA2BALDH1A1

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 L3MBTL1 2922/4885ITGB3 3882/4885ITGA2B 3489/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 L3MBTL1 2922/4885ITGB3 3882/4885ITGA2B 3489/4885

“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.