SCHEMBL490856

SCHEMBL490856

C#CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.39
CTSS P25774 5/20 0.39
BTK Q06187 1/20 0.39
EPHX1 P07099 1/20 0.37
GAA P10253 1/20 0.35
KMT2A Q03164 4/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CACNA1B Q00975 1/20 0.31

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
SCHEMBL4848668 0.83 EPHX1 (0.40) CTSKCTSSBTKEPHX1GAA
SCHEMBL4848663 0.83 EPHX1 (0.40) CTSKCTSSBTKEPHX1GAA
SCHEMBL16469900 0.82 EPHX1 (0.43) CTSKCTSSBTKEPHX1GAA
SCHEMBL490642 0.81 CTSS (0.41) CTSKCTSSBTKEPHX1GAA
SCHEMBL16470240 0.81 EPHX1 (0.42) CTSKCTSSBTKEPHX1GAA
SCHEMBL1147463 0.81 CTSS (0.41) CTSKCTSSBTKEPHX1GAA
SCHEMBL375738 0.80 EPHX1 (0.38) CTSKCTSSBTKEPHX1GAA
SCHEMBL376033 0.80 CTSS (0.40) CTSKCTSSBTKEPHX1GAA
SCHEMBL27757442 0.80 CTSS (0.40) CTSKCTSSBTKEPHX1GAA
SCHEMBL375865 0.80 CTSS (0.40) CTSKCTSSBTKEPHX1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK CTSK 2888/4885CTSS 2844/4885BTK 214/4885

“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.