SCHEMBL4334543

SCHEMBL4334543

CC(C)(NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1F)B1OC2CC3CC(C3(C)C)C2(C)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.50
PSMB5 P28074 10/20 0.49
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
PSMB1 P20618 1/20 0.44

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
SCHEMBL4331925 0.88 PSMB5 (0.57) F2PSMB5HDAC3HDAC4HDAC1
SCHEMBL4338141 0.87 PSMB5 (0.54) F2PSMB5PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL4337244 0.82 F2 (0.52) F2PSMB5PSEN1PSEN2APH1B
SCHEMBL2786828 0.78 PSMB5 (0.49) F2PSMB5HDAC3HDAC4HDAC1
SCHEMBL3740664 0.77 PSMB5 (0.66) F2PSMB5PSEN1PSEN2APH1B
SCHEMBL3748802 0.77 PSMB5 (0.73) F2PSMB5HDAC3HDAC4HDAC1
SCHEMBL3747518 0.76 PSMB5 (0.58) F2PSMB5HDAC3HDAC4HDAC1
SCHEMBL3747100 0.76 PSMB5 (0.64) F2PSMB5HDAC3HDAC4HDAC1
SCHEMBL11921053 0.76 CCR1 (0.53) PSMB5
SCHEMBL3798640 0.75 PSMB5 (0.69) F2PSMB5HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212334-B1 PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2012-08-15 EP disclosed
US-20090099132-A1 Proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-16 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-20090099132-A1 Proteasome inhibitors PSMB5, PSMG3, PSMB1 F2 4790/4885PSMB5 1/4885HDAC3 657/4885

“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.