SCHEMBL23263161

SCHEMBL23263161

Cc1ccc(OC(=O)OC(C)(C)C)c(=O)c(-c2cncc(F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ CTSA P10619 3/20 0.34
▸ ABL1 P00519 3/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ POLQ O75417 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL23263935 0.86 CHRNB4 (0.40) PARP10PARP11CTSAABL1KDM1A
SCHEMBL27018507 0.86 CTSA (0.37) PARP10PARP11CTSAABL1KDM1A
SCHEMBL23263842 0.79 PIK3CG (0.38) ABL1BRD4CYP1A1CYP1A2CYP1B1
SCHEMBL23258883 0.77 ELANE (0.40) BRD4CYP1A2
SCHEMBL23263129 0.75 BACE1 (0.39) ABL1CYP1A1CYP1A2CYP1B1CYP11B2
SCHEMBL29890183 0.74 PARP10 (0.43) PARP10PARP11KDM1AHDAC1HDAC6
SCHEMBL23249804 0.74 PARP10 (0.43) PARP10PARP11KDM1AHDAC1HDAC6
SCHEMBL23263317 0.74 CTPS1 (0.33) PARP10PARP11ABL1CYP11B2DYRK1A
SCHEMBL27018669 0.74 PARP10 (0.45) PARP10PARP11KDM1AHDAC1HDAC6
SCHEMBL23258826 0.73 ELANE (0.41) BRD4CYP1A2

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-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 — — US disclosed
US-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 — — US disclosed
WO-2021076945-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 — — WO 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-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS TXNRD2, TXNRD1, SDHB PARP10 2741/4885PARP11 3002/4885HCRTR1 2272/4885

“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.

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