SCHEMBL21294450

SCHEMBL21294450

CC(C(=O)CC(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
MMP13 P45452 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 4/20 0.32
CTSS P25774 3/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL21294449 1.00 AAK1 (0.35) AAK1MMP13CA1CA2CA7
SCHEMBL18787668 0.86 CYP2D6 (0.36) AAK1MMP13CA1CA2CA7
SCHEMBL18787667 0.86 CYP2D6 (0.36) AAK1MMP13CA1CA2CA7
SCHEMBL31485762 0.85 CA2 (0.36) AAK1MMP13CA1CA2CA7
SCHEMBL19812728 0.83 CA1 (0.35) AAK1MMP13CA1CA2CA7
SCHEMBL22485387 0.82 AAK1 (0.34) AAK1MMP13CA1CA2CA7
SCHEMBL14924779 0.81 GAA (0.41) AAK1CA1CA2GAACTSK
SCHEMBL5642236 0.80 MMP13 (0.39) AAK1MMP13CA1CA2CA7
SCHEMBL25499813 0.80 AAK1 (0.34) AAK1MMP13GAAHDAC6CYP2D6
SCHEMBL342693 0.80 AAK1 (0.33) AAK1MMP13CA1CA2CA7

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 3 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
EP-3535254-A1 COMPOUNDS FOR MALT1 DEGRADATION Cornell University Cornell Center For Technology, Enterprise & Commercialization ("CCTEC") (US) 2019-09-11 EP 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 AAK1 996/4885MMP13 3903/4885CA1 2550/4885
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CRBN, NFKB2, NFKB1 AAK1 884/4885MMP13 3932/4885CA1 2693/4885

“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.