SCHEMBL12010372

SCHEMBL12010372

CN(CCOC=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
CTSK P43235 3/20 0.35
HDAC6 Q9UBN7 2/20 0.34
CA14 Q9ULX7 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GBA1 P04062 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
FPR3 P25089 1/20 0.30
FPR2 P25090 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
SCHEMBL16589500 0.81 HDAC6 (0.38) CTSKHDAC6CA14HDAC1HDAC2
SCHEMBL10260946 0.80 HDAC6 (0.40) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL1714516 0.79 PDK2 (0.40) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL17407114 0.79 PDK2 (0.40) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL22276510 0.79 PDK2 (0.40) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL22276649 0.79 PDK2 (0.40) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL16197654 0.79 PDK2 (0.36) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL22782589 0.78 PDK2 (0.36) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL23918634 0.78 PDK2 (0.39) PDK2CTSKHDAC6CA14HDAC1
SCHEMBL1040957 0.78 PDK2 (0.39) PDK2CTSKHDAC6CA14HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 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 (2 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-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 PDK2 878/4885CTSK 3590/4885HDAC6 1721/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 PDK2 2153/4885CTSK 491/4885HDAC6 1202/4885

“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.