SCHEMBL26085565

SCHEMBL26085565

Cc1ccn(CC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 2/20 0.35
CACNA1B Q00975 1/20 0.35
PLA2G10 O15496 2/20 0.35
PLA2G5 P39877 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL28928093 0.82 FPR2 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL21233125 0.81 CA12 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL1126836 0.81 PLA2G10 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL20383847 0.81 AKR1B1 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL22572118 0.78 AKR1B1 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL9371797 0.78 KDM4E (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL28928213 0.74 ALDH1A1 (0.41) KDM4EALDH1A1KMT2AHDAC6PLA2G10
SCHEMBL14865350 0.74 AKR1B1 (0.55) KDM4EALDH1A1L3MBTL1POLBMAPT
SCHEMBL26757682 0.73 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL3586455 0.72 ALPL (0.47) KDM4EALDH1A1KMT2AHDAC6PLA2G10

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-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 CA12 4642/4885CA1 4407/4885CA2 4490/4885

“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.