SCHEMBL9101170

SCHEMBL9101170

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PREP P48147 1/20 0.40
CTSK P43235 4/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.37
ELANE P08246 1/20 0.36
CTSS P25774 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
SCHEMBL9101167 1.00 KMT2A (0.43) KMT2AHRH2HRH1CA1CA2
SCHEMBL9105005 0.86 CTSK (0.51) KMT2AHRH2HRH1CA1CA2
SCHEMBL9105011 0.86 CTSK (0.51) KMT2AHRH2HRH1CA1CA2
SCHEMBL18212459 0.86 KMT2A (0.45) KMT2AHRH2HRH1CA1CA2
SCHEMBL18212483 0.86 KMT2A (0.48) KMT2AHRH2HRH1CA1CA2
SCHEMBL28673312 0.86 KMT2A (0.48) KMT2AHRH2HRH1CA1CA2
SCHEMBL14144416 0.84 HRH2 (0.47) KMT2AHRH2HRH1CA1CA2
SCHEMBL27826405 0.84 HRH2 (0.47) KMT2AHRH2HRH1CA1CA2
SCHEMBL18212488 0.83 KMT2A (0.46) KMT2AHRH2HRH1CA1CA2
SCHEMBL28654081 0.83 KMT2A (0.46) KMT2AHRH2HRH1CA1CA2

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-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 (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-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 KMT2A 552/4885HRH2 705/4885HRH1 527/4885

“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.