SCHEMBL24425262

SCHEMBL24425262

CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H](C1)C2(C)C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
GAA P10253 1/20 0.39
EPHX1 P07099 2/20 0.38
ELANE P08246 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ITGB3 P05106 8/20 0.36
ITGA2B P08514 8/20 0.36
CTSL P07711 2/20 0.36

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
SCHEMBL6691173 0.85 DPP4 (0.50) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL12463556 0.83 EPHX1 (0.45) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL22501529 0.83 EPHX1 (0.45) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL9099994 0.82 AAK1 (0.40) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL9099990 0.82 AAK1 (0.40) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL18212482 0.81 KMT2A (0.40) ELANECTSSCTSKCA1CA2
SCHEMBL6698692 0.81 DPP4 (0.51) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL6698698 0.81 DPP4 (0.51) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL6813595 0.80 EPHX1 (0.43) HDAC4HDAC1HDAC6AAK1GAA
SCHEMBL6813596 0.80 EPHX1 (0.43) HDAC4HDAC1HDAC6AAK1GAA

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-20220142976-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2022-05-12 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 (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-20220142976-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 HDAC4 1823/4885HDAC1 1496/4885HDAC6 1127/4885

“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.