SCHEMBL25669124

SCHEMBL25669124

CC(C)(C)OC(=O)N1Cc2cccc(CN3CCOCC3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.44
NAMPT P43490 3/20 0.41
CYP2A13 Q16696 5/20 0.41
MTOR P42345 2/20 0.40
GLS O94925 1/20 0.40
PIK3CA P42336 1/20 0.40
ESR2 Q92731 1/20 0.40
RECQL P46063 1/20 0.39
PLA2G7 Q13093 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL30368301 1.00 DDB1 (0.48) DDB1CRBNUSP2SMN1; SMN2MAPK1
SCHEMBL24913967 0.89 DDB1 (0.49) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL30156801 0.89 DDB1 (0.49) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL15103318 0.81 DDB1 (0.52) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL29949482 0.81 DDB1 (0.52) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL31336003 0.80 ABHD6 (0.47) DDB1CRBNUSP2SMN1; SMN2MAPK1
SCHEMBL22530386 0.80 DDB1 (0.51) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL23121488 0.80 DDB1 (0.51) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL15042246 0.79 DDB1 (0.50) DDB1CRBNMAPK1NAMPTGLS
SCHEMBL15042391 0.79 DDB1 (0.50) DDB1CRBNMAPK1NAMPTGLS

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
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 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-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 DDB1 44/4885CRBN 663/4885USP2 1312/4885

“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.