SCHEMBL18838482

SCHEMBL18838482

CC(C)(C)OC(=O)N[C@H]1CC12CCN(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BTK Q06187 1/20 0.38
HSD11B1 P28845 7/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL18838439 1.00 CTSK (0.38) CTSKCA1CA2BTKHSD11B1
SCHEMBL22798665 0.89 BTK (0.37) CTSKCA1CA2BTKHSD11B1
SCHEMBL18321912 0.89 BTK (0.37) CTSKCA1CA2BTKHSD11B1
SCHEMBL22799108 0.88 BTK (0.36) CTSKCA1CA2BTKHSD11B1
SCHEMBL21952188 0.87 EPHX2 (0.36) CTSKCA1CA2BTKHSD11B1
SCHEMBL18321923 0.87 EPHX2 (0.36) CTSKCA1CA2BTKHSD11B1
SCHEMBL20337417 0.85 BTK (0.34) CTSKCA1CA2BTKHSD11B1
SCHEMBL20337372 0.85 BTK (0.34) CTSKCA1CA2BTKHSD11B1
SCHEMBL18838440 0.84 CTSK (0.43) CTSKCA1CA2BTKHSD11B1
SCHEMBL18838483 0.84 CTSK (0.43) CTSKCA1CA2BTKHSD11B1

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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 US disclosed
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 US disclosed
EP-3340988-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES Afasci, Inc. (US) 2018-07-04 EP disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 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 (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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H CTSK 1643/4885CA1 864/4885CA2 203/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H CTSK 1643/4885CA1 864/4885CA2 203/4885

“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.