SCHEMBL5941771

SCHEMBL5941771

CCCC(COC)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.54
CTSS P25774 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CCR1 P32246 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
SCHEMBL5942176 0.95 CTSK (0.52) CTSKCTSS
SCHEMBL5942007 0.94 CTSK (0.52) CTSKCTSSSMYD3TAS1R3TAS1R1
SCHEMBL5941657 0.91 CTSK (0.56) CTSKCTSSTAS1R3TAS1R1CCR1
SCHEMBL4041016 0.89 CTSK (0.56) CTSKCTSSSMYD3
SCHEMBL4036968 0.88 CTSK (0.58) CTSKCTSSSMYD3
SCHEMBL4043242 0.87 CTSK (0.57) CTSKCTSSSMYD3
SCHEMBL4040771 0.87 CTSK (0.57) CTSKCTSSSMYD3
SCHEMBL5942133 0.87 CTSK (0.55) CTSKCTSS
SCHEMBL5942311 0.87 CTSK (0.63) CTSKCTSS
SCHEMBL4041784 0.86 CTSK (0.59) CTSKCTSSSMYD3CCR1

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-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885SMYD3 4011/4885

“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.