SCHEMBL17934379

SCHEMBL17934379

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 5/20 0.43
▸ BACE1 P56817 12/20 0.40
▸ BACE2 Q9Y5Z0 4/20 0.40
▸ CTSD P07339 2/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ BMP1 P13497 1/20 0.37

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
SCHEMBL29873747 0.80 ENPEP (0.52) ENPEPBACE1BACE2CTSD
SCHEMBL31089740 0.79 ENPEP (0.55) ENPEPBACE1BACE2CTSD
SCHEMBL5194261 0.79 ENPEP (0.55) ENPEPBACE1BACE2CTSD
SCHEMBL19794 0.78 BACE1 (0.52) ENPEPBACE1BACE2CTSD
SCHEMBL17930179 0.78 CASP3 (0.48) ENPEPBACE1BACE2CASP1CASP3
SCHEMBL18293548 0.78 ENPEP (0.48) ENPEPBACE1BACE2CTSD
SCHEMBL31315589 0.77 BACE1 (0.47) ENPEPBACE1BACE2CTSD
SCHEMBL29904046 0.77 BACE1 (0.51) ENPEPBACE1BACE2CTSD
SCHEMBL16597491 0.76 BACE1 (0.45) ENPEPBACE1BACE2CTSDCASP1
SCHEMBL2564476 0.76 BACE1 (0.45) ENPEPBACE1BACE2CTSDCASP1

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 ENPEP 3666/4885BACE1 2290/4885BACE2 3199/4885

“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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