SCHEMBL22572467

SCHEMBL22572467

COC(=O)CN(C)C(=O)CN(C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA14 Q9ULX7 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA1 P00915 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
DGAT1 O75907 1/20 0.31
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL646025 0.87 CA14 (0.38) CA12CA2CA14HDAC6HDAC1
SCHEMBL21071237 0.85 KDM4E (0.37) KDM4EHTTCA12CA2CA14
SCHEMBL21070174 0.85 KDM4E (0.37) KDM4EHTTCA12CA2CA14
SCHEMBL21570100 0.84 MVD (0.36) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL7023795 0.81 CA14 (0.39) KDM4EHTTCA12CA2CA14
SCHEMBL31270772 0.74 CA12 (0.41) KDM4EHTTCA12CA2CA14
SCHEMBL18112577 0.73 CA14 (0.36) KDM4EHTTCA12CA2CA14
SCHEMBL2052653 0.73 CA12 (0.41) HTTCA12CA2HDAC6HDAC1
SCHEMBL31270901 0.73 CA12 (0.43) KDM4EHTTCA12CA2CA14
SCHEMBL20262979 0.72 CA14 (0.42) HTTCA12CA2CA14HDAC6

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-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 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-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885HTT 2323/4885CA12 4642/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KDM4E 2079/4885HTT 2323/4885CA12 4642/4885

“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.