SCHEMBL25609113

SCHEMBL25609113

CC(C)c1ccc2c(c1)C(=O)NCCC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PARP10 Q53GL7 8/20 0.51
PARP1 P09874 6/20 0.51
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
PARP11 Q9NR21 3/20 0.41
PDPK1 O15530 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
CDC7 O00311 1/20 0.38
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3B P49841 1/20 0.35

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
SCHEMBL2611066 0.90 PARP10 (0.63) HPGDGFERHSD17B10PARP10PARP1
SCHEMBL25795405 0.88 PARP11 (0.51) HPGDGFERHSD17B10PARP10PARP1
SCHEMBL24170587 0.85 PARP10 (0.47) HPGDGFERHSD17B10PARP10PARP1
SCHEMBL8163994 0.80 HPGD (0.58) HPGDGFERHSD17B10PARP10PARP1
SCHEMBL15830755 0.79 PARP10 (0.81) GFERPARP10PARP1F7F3
SCHEMBL279822 0.78 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL14849265 0.77 HPGD (0.46) HPGDGFERHSD17B10LMNAKDM4E
SCHEMBL1401942 0.77 MAOA (0.48) HPGDGFERHSD17B10LMNAKDM4E
SCHEMBL9910073 0.77 GFER (0.44) HPGDGFERHSD17B10LMNAKDM4E
SCHEMBL10201434 0.76 PARP1 (0.56) PARP10PARP1F7F3PARP11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 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 (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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 HPGD 2003/4885GFER 4509/4885HSD17B10 2773/4885

“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.