SCHEMBL16152258

SCHEMBL16152258

C=C(NC(C)(C)C)C(O)C1(NC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.31
CTSL P07711 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.30
APLNR P35414 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
SCHEMBL6888536 0.87 CTSL (0.35) BTKCTSLGAAMEN1MAPK1
SCHEMBL1965623 0.81 BTK (0.38) BTKCTSLGAAMEN1MAPK1
SCHEMBL15888207 0.80 CTSL (0.37) BTKCTSLMEN1MAPK1KMT2A
SCHEMBL29395889 0.80 CA1 (0.34) BTKCTSLGAAMEN1MAPK1
SCHEMBL29399267 0.75 GAA (0.35) BTKCTSLGAAMEN1MAPK1
SCHEMBL12070311 0.74 GAA (0.39) BTKCTSLGAAMEN1MAPK1
SCHEMBL29398236 0.72 CTSL (0.40) CTSLMEN1MAPK1KMT2AAPLNR
SCHEMBL18878390 0.72 CTSL (0.39) BTKCTSLGAAMEN1MAPK1
SCHEMBL22026374 0.72 MEN1 (0.38) BTKCTSLGAAMEN1MAPK1
SCHEMBL1968260 0.71 EPHX1 (0.35) CTSLGAAMEN1KMT2AEPHX1

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-8853281-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-07 US disclosed
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 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-20110312964-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSV BTK 2783/4885CTSL 5/4885GAA 1271/4885

“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.