SCHEMBL21294546

SCHEMBL21294546

CC(C)(C)OC(=O)NCCOc1ncc(Cl)cc1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
IDO1 P14902 3/20 0.43
BCHE P06276 1/20 0.39
LIPE Q05469 1/20 0.39
PDK2 Q15119 1/20 0.39
SCN9A Q15858 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
DRD2 P14416 1/20 0.38
CSNK1D P48730 1/20 0.38
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL31251145 1.00 CA12 (0.46) CA12CA1CA2CA9STK17B
SCHEMBL21294560 0.82 BCHE (0.36) BCHELIPESCN9A
SCHEMBL21294488 0.81 CA12 (0.43) CA12CA1CA2CA9STK17B
SCHEMBL31250642 0.81 CA12 (0.43) CA12CA1CA2CA9STK17B
SCHEMBL28604827 0.79 TRPA1 (0.46) CA12CA1CA2CA9SCN9A
SCHEMBL18862943 0.79 TRPA1 (0.46) CA12CA1CA2CA9SCN9A
SCHEMBL6991027 0.78 STK17B (0.40) CA12CA1CA2CA9STK17B
SCHEMBL16593050 0.78 STK17B (0.46) CA12CA1CA2CA9STK17B
SCHEMBL22425809 0.76 CA12 (0.52) CA12CA1CA2CA9STK17B
SCHEMBL13648190 0.76 CA12 (0.46) CA12CA1CA2CA9STK17B

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-10689366-B2 Compounds for MALT1 degredation CORNELL UNIVERSITY (US) 2020-06-23 US disclosed
US-10689366-B2 Compounds for MALT1 degredation CORNELL UNIVERSITY (US) 2020-06-23 US disclosed
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CORNELL UNIVERSITY (US) 2019-08-29 US disclosed
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CORNELL UNIVERSITY (US) 2019-08-29 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-10689366-B2 Compounds for MALT1 degredation CRBN, NFKB2, NFKB1 CA12 3546/4885CA1 2550/4885CA2 3924/4885
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CRBN, NFKB2, NFKB1 CA12 3654/4885CA1 2693/4885CA2 3698/4885

“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.