SCHEMBL13416581

SCHEMBL13416581

O=C(O)CC(NC(=O)OCCOCCON(O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 9/20 0.38
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ MME P08473 2/20 0.33
▸ FOLH1 Q04609 4/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL13416579 0.87 CA2 (0.37) CASP1CA2CA4MME
SCHEMBL13416655 0.87 TGFBR1 (0.39) CA2MME
SCHEMBL13417041 0.86 FOLH1 (0.46) FOLH1
SCHEMBL13416684 0.84 ALDH1A1 (0.46) FOLH1MAPT
SCHEMBL13416910 0.83 — —
SCHEMBL16124634 0.82 CASP1 (0.39) CASP1CA2CA4MMEFOLH1
SCHEMBL13416663 0.81 FOLH1 (0.42) FOLH1
SCHEMBL13416718 0.81 PPARG (0.31) —
SCHEMBL13416903 0.80 FOLH1 (0.45) CA2FOLH1
SCHEMBL13416686 0.80 LMNA (0.40) CA2FOLH1GAA

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 — — US disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — WO 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CASP1 1575/4885CA2 2652/4885CA4 4156/4885

“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.

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