SCHEMBL9104062

SCHEMBL9104062

CC(C)(C)OC(=O)N[C@H](/C=C/C(=O)O)CC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ REN P00797 4/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 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
SCHEMBL9104071 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL9102877 0.96 CTSK (0.50) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL9102886 0.96 CTSK (0.50) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL9104287 0.93 CTSK (0.52) CTSKCTSSKMT2AAAK1
SCHEMBL9104279 0.93 CTSK (0.52) CTSKCTSSKMT2AAAK1
SCHEMBL7381049 0.88 CTSK (0.51) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8021226 0.88 CTSK (0.51) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL7264559 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL7264560 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL9658422 0.87 CTSK (0.53) CTSKCTSSCTSLCTSBKMT2A

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-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 — — 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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS CTSK 8/4885CTSS 3/4885CTSL 13/4885

“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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