SCHEMBL5886445

SCHEMBL5886445

COC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSS P25774 2/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CYP2D6 P10635 1/20 0.45
PSENEN Q9NZ42 1/20 0.44
KLK5 Q9Y337 1/20 0.44
SRC P12931 2/20 0.41
PREP P48147 1/20 0.40
TRPA1 O75762 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL22527163 1.00 CTSK (0.46) CTSKCTSSCA12CA14CA1
SCHEMBL15215108 1.00 CTSK (0.46) CTSKCTSSCA12CA14CA1
SCHEMBL1486173 1.00 CTSK (0.46) CTSKCTSSCA12CA14CA1
SCHEMBL5343118 1.00 CTSK (0.46) CTSKCTSSCA12CA14CA1
SCHEMBL1486171 1.00 CTSK (0.46) CTSKCTSSCA12CA14CA1
SCHEMBL5886446 1.00 CTSK (0.46) CTSKCTSSCA12CA14CA1
SCHEMBL8048104 1.00 CTSK (0.46) CTSKCTSSCA12CA14CA1
Acetonitrile SCHEMBL28263421 0.92 CTSK (0.51) CTSKCTSSCA12CA14CA1
SCHEMBL28411968 0.91 CTSK (0.47) CTSKCTSSCA12CA14CA1
SCHEMBL20825614 0.91 CTSK (0.47) CTSKCTSSCA12CA14CA1

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-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A CTSK 3439/4885CTSS 3151/4885CA12 638/4885

“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.