SCHEMBL6883712

SCHEMBL6883712

CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CC(=O)O)C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.65
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 1/20 0.43
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 3/20 0.41
DRD2 P14416 2/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CTSS P25774 1/20 0.38
KAT8 Q9H7Z6 4/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 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
SCHEMBL6640571 1.00 BTK (0.65) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL6828924 1.00 BTK (0.65) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL6883716 1.00 BTK (0.65) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL6640171 1.00 BTK (0.65) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL6643451 0.91 BTK (0.56) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL16856527 0.91 BTK (0.56) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL3900948 0.91 BTK (0.56) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL6451887 0.87 BTK (0.63) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL6878689 0.87 BTK (0.59) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL6878692 0.87 BTK (0.59) BTKKMT2AL3MBTL1EPHX1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 BTK 3824/4885KMT2A 4610/4885L3MBTL1 4717/4885

“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.