SCHEMBL9102311

SCHEMBL9102311

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(F)(F)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
PREP P48147 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ELANE P08246 1/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
CTSS P25774 1/20 0.42
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CCR1 P32246 4/20 0.39
NR1I2 O75469 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL9102306 1.00 CTSK (0.50) CTSKCTSLCTSBPREPKMT2A
SCHEMBL9277918 0.84 DPP4 (0.39) CTSKCTSLCTSBPREPELANE
SCHEMBL19981989 0.84 CTSK (0.52) CTSKCTSLCTSBPREPKMT2A
SCHEMBL13412185 0.83 DPP4 (0.43) CTSKCTSLCTSBPREPKMT2A
SCHEMBL8273978 0.83 DPP4 (0.43) CTSKCTSLCTSBPREPKMT2A
SCHEMBL24485007 0.82 HRH2 (0.43) CTSKCTSLCTSBKMT2AMEN1
SCHEMBL8276053 0.81 DPP4 (0.40) CTSKCTSLCTSBPREPKMT2A
SCHEMBL10030173 0.81 DPP4 (0.44) CTSKPREPKMT2AMEN1HRH2
SCHEMBL13412178 0.81 DPP4 (0.40) CTSKCTSLCTSBPREPKMT2A
SCHEMBL1706224 0.80 CTSK (0.64) CTSKCTSLCTSBPREPKMT2A

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-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
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 CTSK 4102/4885CTSL 4188/4885CTSB 4572/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 CTSK 4102/4885CTSL 4188/4885CTSB 4572/4885

“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.