SCHEMBL31106956

SCHEMBL31106956

CC(C)(C)OC(=O)N1CCc2c(nc(C#C[Si](C)(C)C)nc2N2CCOCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.56
RAF1 P04049 2/20 0.48
BRAF P15056 2/20 0.48
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3R1 P27986 7/20 0.40
PIK3CA P42336 7/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PIK3CD O00329 2/20 0.38
PIK3CB P42338 1/20 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
SCHEMBL24955676 0.88 MTOR (0.57) MTORRAF1BRAFUSP2SMN1; SMN2
SCHEMBL31106959 0.85 MTOR (0.52) MTORPIK3R1PIK3CA
SCHEMBL31106973 0.85 MTOR (0.52) MTORPIK3R1PIK3CA
SCHEMBL441537 0.83 MTOR (0.59) MTORRAF1BRAFUSP2SMN1; SMN2
SCHEMBL22718259 0.81 MTOR (0.59) MTORRAF1BRAFUSP2SMN1; SMN2
SCHEMBL30202052 0.79 MTOR (0.51) MTORRAF1BRAFPIK3R1PIK3CA
SCHEMBL24956799 0.79 MTOR (0.51) MTORRAF1BRAFPIK3R1PIK3CA
SCHEMBL29899469 0.78 MTOR (0.55) MTORRAF1BRAFUSP2SMN1; SMN2
SCHEMBL1831342 0.77 MTOR (0.73) MTORRAF1BRAFPIK3CA
SCHEMBL1835666 0.76 MTOR (0.65) MTORRAF1BRAFPIK3R1PIK3CA

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-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2024-10-17 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-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE SI, SLC10A2, NOS3 MTOR 777/4885RAF1 3846/4885BRAF 2735/4885

“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.