SCHEMBL21160682

SCHEMBL21160682

CC(C)(C)OC(=O)NCCCOc1cccc(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
ITK Q08881 3/20 0.49
EGFR P00533 2/20 0.49
PDK2 Q15119 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
SUCNR1 Q9BXA5 2/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A43 Q9HB55 1/20 0.43

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
SCHEMBL8705236 0.96 CA12 (0.53) CA12CA1CA2CA9ITK
SCHEMBL20100194 0.95 CA12 (0.56) CA12CA1CA2CA9ITK
SCHEMBL29856376 0.95 CA12 (0.56) CA12CA1CA2CA9ITK
SCHEMBL17687916 0.93 CA12 (0.50) CA12CA1CA2CA9ITK
SCHEMBL17687929 0.90 CA12 (0.49) CA12CA1CA2CA9ITK
SCHEMBL31192622 0.87 CA12 (0.55) CA12CA1CA2CA9ITK
SCHEMBL23019541 0.87 MAOA (0.42) CA12CA1CA2CA9ITK
SCHEMBL15153582 0.85 CA1 (0.47) CA12CA1CA2CA9ITK
SCHEMBL17208794 0.85 CA12 (0.65) CA12CA1CA2CA9PDK2
SCHEMBL15075255 0.84 POLB (0.57) CA12CA1CA2CA9ITK

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-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-01-11 US disclosed
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2019-07-11 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-11220517-B2 Spiro bicyclic inhibitors of menin-MLL interaction BMI1, MLLT1, MEN1 CA12 4567/4885CA1 4114/4885CA2 4457/4885
US-20190211036-A1 SPIRO BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, MEN1 CA12 4716/4885CA1 4420/4885CA2 4577/4885

“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.