SCHEMBL10068454

SCHEMBL10068454

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nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 6/20 0.47
▸ CASP3 P42574 3/20 0.47
▸ CASP9 P55211 3/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ TASP1 Q9H6P5 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CASP4 P49662 1/20 0.40
▸ CASP5 P51878 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ CASP10 Q92851 1/20 0.40
▸ GNPAT O15228 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ ENPEP Q07075 5/20 0.38

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
SCHEMBL1674857 0.98 CASP1 (0.50) CASP1CASP3CASP9CASP7TASP1
SCHEMBL13194679 0.98 CASP1 (0.50) CASP1CASP3CASP9CASP7TASP1
SCHEMBL4100803 0.98 CASP1 (0.50) CASP1CASP3CASP9CASP7TASP1
SCHEMBL29310042 0.98 CASP1 (0.50) CASP1CASP3CASP9CASP7TASP1
SCHEMBL29802264 0.93 TASP1 (0.51) CASP1CASP3CASP9CASP7TASP1
SCHEMBL20257263 0.91 TASP1 (0.53) CASP1CASP3CASP9CASP7TASP1
SCHEMBL20257260 0.91 TASP1 (0.53) CASP1CASP3CASP9CASP7TASP1
SCHEMBL29664642 0.87 CASP1 (0.47) CASP1CASP3CASP9CASP7CASP4
SCHEMBL29946268 0.85 TASP1 (0.51) CASP1TASP1GNPATBACE1BACE2
SCHEMBL23133189 0.84 CASP1 (0.49) CASP1CASP3CASP9CASP7TASP1

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-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 — — 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL CASP1 2900/4885CASP3 3030/4885CASP9 2236/4885

“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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