SCHEMBL17930179

SCHEMBL17930179

CCCC(=O)NNC(CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C(=O)N[C@H](C=O)CC(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 8/20 0.48
▸ CASP1 P29466 6/20 0.48
▸ CASP9 P55211 5/20 0.48
▸ CASP7 P55210 5/20 0.48
▸ CASP4 P49662 3/20 0.41
▸ CASP10 Q92851 3/20 0.41
▸ CASP8 Q14790 2/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ ENPEP Q07075 5/20 0.40
▸ BMP1 P13497 1/20 0.39
▸ TASP1 Q9H6P5 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL4100803 0.85 CASP1 (0.50) CASP3CASP1CASP9CASP7CASP4
SCHEMBL13194679 0.85 CASP1 (0.50) CASP3CASP1CASP9CASP7CASP4
SCHEMBL1674857 0.85 CASP1 (0.50) CASP3CASP1CASP9CASP7CASP4
SCHEMBL29310042 0.85 CASP1 (0.50) CASP3CASP1CASP9CASP7CASP4
SCHEMBL10068454 0.82 CASP1 (0.47) CASP3CASP1CASP9CASP7CASP4
SCHEMBL29664642 0.81 CASP1 (0.47) CASP3CASP1CASP9CASP7CASP4
SCHEMBL20257263 0.81 TASP1 (0.53) CASP3CASP1CASP9CASP7CASP4
SCHEMBL20257260 0.81 TASP1 (0.53) CASP3CASP1CASP9CASP7CASP4
SCHEMBL29802264 0.79 TASP1 (0.51) CASP3CASP1CASP9CASP7TASP1
SCHEMBL17934379 0.78 ENPEP (0.43) CASP3CASP1CASP9CASP7ENPEP

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-20160206758-A1 DICHROMIC FLUORESCENT COMPOUNDS WASHINGTON UNIVERSITY 2016-07-21 — — 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-20160206758-A1 DICHROMIC FLUORESCENT COMPOUNDS DCAF15, DDT, DCAF1 CASP3 648/4885CASP1 1575/4885CASP9 1376/4885

“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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