SCHEMBL22938845

SCHEMBL22938845

COC(=O)c1ccc2c(c1)cc(C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.40
CDK2 P24941 1/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LCK P06239 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
XDH P47989 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1H2 P55055 7/20 0.38

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
SCHEMBL29631941 0.83 MAPT (0.46) PTGS2MAPTL3MBTL1NR1H2
SCHEMBL29631943 0.83 L3MBTL1 (0.60) PTGS2L3MBTL1KDM4ENR1H2
SCHEMBL19013605 0.83 L3MBTL1 (0.60) PTGS2L3MBTL1KDM4ENR1H2
SCHEMBL30597746 0.83 L3MBTL1 (0.44) PTGS2MAPTL3MBTL1GABRG2GABRB3
SCHEMBL19013038 0.83 MAPT (0.46) PTGS2MAPTL3MBTL1NR1H2
SCHEMBL24671812 0.82 KDM4E (0.38) PTGS2GABRG2GABRB3GABRA5KDM4E
SCHEMBL30066574 0.82 KDM4E (0.38) PTGS2GABRG2GABRB3GABRA5KDM4E
SCHEMBL6617414 0.82 L3MBTL1 (0.43) PTGS2L3MBTL1AURKACDK2GABRG2
SCHEMBL29631894 0.82 PTGS2 (0.51) PTGS2MAPTL3MBTL1AURKACDK2
SCHEMBL19013033 0.82 PTGS2 (0.51) PTGS2MAPTL3MBTL1AURKACDK2

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-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA GROUP CORP LIMITED (HK) 2022-10-20 US disclosed
CN-112300129-B Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-09-14 CN disclosed
WO-2021018194-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 WO disclosed
CN-112300129-A Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-02-02 CN 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 (1 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-20220332701-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ABL1, ABL2, BCR PTGS2 4540/4885MAPT 3878/4885L3MBTL1 34/4885

“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.