SCHEMBL6813596

SCHEMBL6813596

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H](O)C1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ITGB3 P05106 9/20 0.40
ITGA2B P08514 9/20 0.40
AAK1 Q2M2I8 1/20 0.40
CTSL P07711 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DPP4 P27487 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6813595 1.00 EPHX1 (0.43) EPHX1HDAC4HDAC1HDAC6ITGB3
SCHEMBL16413070 0.88 AAK1 (0.45) ITGB3ITGA2BAAK1CTSLDPP4
SCHEMBL6809881 0.88 DPP4 (0.52) EPHX1HDAC4HDAC1HDAC6ITGB3
SCHEMBL6809878 0.88 DPP4 (0.52) EPHX1HDAC4HDAC1HDAC6ITGB3
SCHEMBL9099990 0.87 AAK1 (0.40) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL9099994 0.87 AAK1 (0.40) HDAC4HDAC1HDAC6ITGB3ITGA2B
SCHEMBL22501529 0.85 EPHX1 (0.45) EPHX1HDAC4HDAC1HDAC6ITGB3
SCHEMBL12463556 0.85 EPHX1 (0.45) EPHX1HDAC4HDAC1HDAC6ITGB3
SCHEMBL21647650 0.82 EPHX1 (0.42) EPHX1HDAC4HDAC1HDAC6ITGB3
SCHEMBL28526295 0.82 EPHX1 (0.42) EPHX1HDAC4HDAC1HDAC6ITGB3

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-20040110817-A1 Dipeptidyl peptidase IV inhibiting fluorinated cyclic amides PFIZER INC 2004-06-10 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-20040110817-A1 Dipeptidyl peptidase IV inhibiting fluorinated cyclic amides DPP4, ALPI, DPP7 EPHX1 3198/4885HDAC4 327/4885HDAC1 488/4885

“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.