SCHEMBL14090972

SCHEMBL14090972

CC(C)(C)OC(=O)Nc1cccc([C@H](N)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ AURKA O14965 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ BACE1 P56817 1/20 0.40

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
SCHEMBL546162 0.85 MEN1 (0.47) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6367736 0.83 IDO1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6367739 0.83 IDO1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6367733 0.83 IDO1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL11090585 0.83 HDAC1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL11090583 0.83 HDAC1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL11090579 0.83 HDAC1 (0.45) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL12743181 0.82 FADS1 (0.51) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL19426702 0.82 IDO1 (0.49) IDO1HDAC1HDAC3HDAC2HDAC8
SCHEMBL4986287 0.81 IDO1 (0.46) IDO1HDAC1HDAC3HDAC2HDAC8

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 IDO1 1682/4885HDAC1 4373/4885HDAC3 3625/4885

“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.

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