SCHEMBL4580052

SCHEMBL4580052

CC1=C2C(=O)CC(C)(C)CC2N(c2ccc(C#N)c(NC3CCC(O)CC3)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.42
HSP90AA1 P07900 16/20 0.42
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
PRKCQ Q04759 1/20 0.38
CYP11B2 P19099 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
SCHEMBL4582440 0.84 HSP90AA1 (0.60) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL4581968 0.83 AR (0.38) HSP90AB1HSP90AA1TRAP1CYP11B2
SCHEMBL4579911 0.79 CYP11B2 (0.41) CYP11B2
SCHEMBL4579792 0.73 HSP90AA1 (0.39) HSP90AB1HSP90AA1HSP90B1TRAP1PRKCQ
SCHEMBL4581091 0.73 HSP90AB1 (0.49) HSP90AB1HSP90AA1HSP90B1TRAP1CYP11B2
SCHEMBL14252174 0.73 HSP90AB1 (0.43) HSP90AB1HSP90AA1HSP90B1TRAP1PRKCQ
SCHEMBL4581061 0.73 HSP90AB1 (0.43) HSP90AB1HSP90AA1HSP90B1TRAP1PRKCQ
SCHEMBL12820990 0.73 HSP90AA1 (0.57) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL4580025 0.72 PRKCQ (0.38) HSP90AB1HSP90AA1PRKCQ
SCHEMBL30839279 0.72 HSP90AB1 (0.74) HSP90AB1HSP90AA1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 HSP90AB1 2208/4885HSP90AA1 2797/4885HSP90B1 2531/4885

“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.