SCHEMBL25217752

SCHEMBL25217752

O=C(NCCC1CCN(C(=O)O)CC1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.59
TPSD1 Q9BZJ3 2/20 0.59
TPSG1 Q9NRR2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACHE P22303 3/20 0.50
BCHE P06276 2/20 0.50
CHRM4 P08173 2/20 0.50
CACNA1F O60840 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49

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
SCHEMBL20660318 0.93 TPSAB1 (0.58) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL8396587 0.88 LMNA (0.63) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL25679047 0.88 TPSAB1 (0.56) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL21248842 0.87 LMNA (0.56) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL1240612 0.87 TPSAB1 (0.58) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL20782479 0.86 KDM4E (0.58) TPSAB1TPSD1TPSG1SMN1; SMN2HTT
SCHEMBL16528456 0.86 MEN1 (0.50) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL8396013 0.85 LMNA (0.60) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL8391394 0.85 MEN1 (0.63) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA
SCHEMBL27358592 0.85 ACHE (0.58) TPSAB1TPSD1TPSG1SMN1; SMN2LMNA

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 TPSAB1 1238/4885TPSD1 2690/4885TPSG1 937/4885

“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.