SCHEMBL22645752

SCHEMBL22645752

CC(C)(C)c1coc2c(F)cccc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
KIF11 P52732 1/20 0.33
PSMB5 P28074 2/20 0.32
PSMB8 P28062 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL22645749 0.80 CA2 (0.36) CA2KIF11POLB
SCHEMBL20061684 0.79 GABRA1 (0.42) CA2KIF11PSMB5PSMB8POLB
SCHEMBL25094371 0.78 CA2 (0.38) CA2KIF11
SCHEMBL22645751 0.78 CYP1A2 (0.38) CA2KIF11PSMB5PSMB8
SCHEMBL289277 0.75 ACHE (0.39) PSMB5PSMB8POLBMAPT
SCHEMBL30395048 0.75 ACHE (0.39) PSMB5PSMB8POLBMAPT
SCHEMBL26014306 0.72 HTR2C (0.34)
SCHEMBL289276 0.71 PSMB5 (0.34) PSMB5PSMB8
SCHEMBL16533399 0.71 PSMB5 (0.34) PSMB5PSMB8
SCHEMBL730014 0.71 PSMB5 (0.34) CA2PSMB5PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-20220153761-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2022-05-19 US disclosed
US-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 US disclosed
US-20200354382-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2020-11-12 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 (4 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-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 CA2 1444/4885KIF11 3210/4885PSMB5 26/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 CA2 1506/4885KIF11 3186/4885PSMB5 23/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 CA2 1444/4885KIF11 3210/4885PSMB5 26/4885
US-20200354382-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 CA2 1506/4885KIF11 3186/4885PSMB5 23/4885

“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.