SCHEMBL9106442

SCHEMBL9106442

CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CTSK P43235 5/20 0.38
PREP P48147 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36
BTK Q06187 1/20 0.34

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
SCHEMBL19853105 0.98 HPGD (0.43) HPGDCA1CA2CTSKPREP
SCHEMBL22236297 0.86 CA2 (0.38) HPGDCA1CA2CTSK
SCHEMBL24029902 0.86 GAA (0.45) SMN1; SMN2
SCHEMBL19853103 0.85 SMN1; SMN2 (0.56) HPGDCTSKCTSLCTSBUSP2
SCHEMBL22249188 0.85 CA2 (0.35) HPGDCA1CA2CTSKUSP2
SCHEMBL15841189 0.83 ALDH1A1 (0.39) HPGDCA1CA2CTSKSMN1; SMN2
SCHEMBL24030165 0.82 MAPT (0.38) CA1CA2CTSKPREPCTSL
SCHEMBL13850121 0.82 CA1 (0.45) HPGDCA1CA2CTSKEPHX1
SCHEMBL13211810 0.82 CA1 (0.45) HPGDCA1CA2CTSK
SCHEMBL22235965 0.77 ALDH1A1 (0.45) L3MBTL1

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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885CA1 1304/4885CA2 399/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885CA1 1304/4885CA2 399/4885

“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.