SCHEMBL4205994

SCHEMBL4205994

CC[C@@H](CC(C)(C)C)OC(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSS P25774 6/20 0.39
CTSV O60911 4/20 0.39
CTSL P07711 3/20 0.39
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL4205991 1.00 CTSK (0.46) CTSKCTSSCTSVCTSLELANE
SCHEMBL4207796 0.78 CTSK (0.47) CTSKCTSSCTSVCTSLELANE
SCHEMBL4213570 0.78 CTSK (0.41) CTSKCTSSCTSVCTSL
SCHEMBL4213575 0.78 CTSK (0.41) CTSKCTSSCTSVCTSL
SCHEMBL4212694 0.77 CTSK (0.41) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4212699 0.77 CTSK (0.41) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4446620 0.76 CTSK (0.47) CTSKCTSSCTSVCTSL
SCHEMBL5258460 0.76 DPP4 (0.52) CTSKCTSSCTSVCTSLDPP4
SCHEMBL4449255 0.75 CTSK (0.46) CTSKCTSSCTSVCTSL
SCHEMBL4207106 0.71 CTSK (0.54) CTSKCTSS

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-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 US claimed
US-20090131502-A1 Biologically active compounds QUIBELL MARTIN 2009-05-21 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-20090131502-A1 Biologically active compounds COLGALT1, SOST, COL1A1 CTSK 116/4885CTSS 52/4885CTSV 146/4885

“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.