SCHEMBL9963473

SCHEMBL9963473

CC(C)(C)OC(=O)NCC(N)C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ITGB3 P05106 7/20 0.38
ITGA2B P08514 7/20 0.38
CNR2 P34972 1/20 0.38
EPHX1 P07099 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6792077 0.99 CTSK (0.40) CTSKL3MBTL1CTSLCTSBMEN1
SCHEMBL9991969 0.87 MEN1 (0.38) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL9991959 0.87 MEN1 (0.38) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL952369 0.85 ALDH1A1 (0.44) CTSLMEN1KMT2AGAAALDH1A1
SCHEMBL952367 0.85 ALDH1A1 (0.44) CTSLMEN1KMT2AGAAALDH1A1
SCHEMBL6792312 0.85 DPP7 (0.46) CTSKMEN1KMT2AGAAITGB3
SCHEMBL13598863 0.83 MEN1 (0.54) CTSKMEN1KMT2AGAAITGB3
SCHEMBL14850864 0.81 ITGB3 (0.46) CTSKCTSLCTSBKMT2AALDH1A1
SCHEMBL14850692 0.80 ITGB3 (0.47) CTSKCTSLCTSBKMT2AALDH1A1
SCHEMBL14850855 0.80 ITGB3 (0.47) CTSKCTSLCTSBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CTSK 3295/4885L3MBTL1 739/4885CTSL 3330/4885

“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.