SCHEMBL15499671

SCHEMBL15499671

CN(C)C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
CTSK P43235 2/20 0.43
HSD11B1 P28845 2/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 0.38
REN P00797 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
SCHEMBL668339 1.00 BTK (0.54) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL5095952 0.87 BTK (0.51) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL26669722 0.87 BTK (0.51) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL14780694 0.87 BTK (0.51) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL10032035 0.86 BTK (0.71) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL2377209 0.86 BTK (0.71) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL14879696 0.85 BTK (0.50) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL15584567 0.85 BTK (0.50) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL28735448 0.81 BTK (0.51) BTKCTSKHSD11B1CYP2C9KMT2A
SCHEMBL28735308 0.81 BTK (0.51) BTKCTSKHSD11B1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 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-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS GOT1, RNASE1, SLC10A1 BTK 3976/4885CTSK 1594/4885HSD11B1 678/4885

“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.