SCHEMBL3582232

SCHEMBL3582232

CCCC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.43
RORC P51449 1/20 0.42
CA1 P00915 4/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAP4K4 O95819 1/20 0.41
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
CA2 P00918 3/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 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
SCHEMBL396942 0.85 CA12 (0.47) MAPKAPK2CA1CA12CA9MAP4K4
SCHEMBL398628 0.83 MAPKAPK2 (0.47) MAPKAPK2CA1CA12CA9MAP4K4
SCHEMBL27701699 0.80 CA12 (0.45) MAPKAPK2CA1CA12CA9MAP4K4
SCHEMBL14068236 0.77 TP53 (0.62) CA1CA12CA9HDAC3HDAC1
SCHEMBL13076791 0.76 CA12 (0.42) MAPKAPK2CA1CA12CA9MAP4K4
SCHEMBL13624134 0.75 CA12 (0.50) MAPKAPK2CA1CA12CA9MAP4K4
SCHEMBL2929651 0.74 HDAC1 (0.46) CA1HDAC3HDAC1HDAC10HDAC6
SCHEMBL13213574 0.74 PPARG (0.41) MAPKAPK2CA1CA12CA9MAP4K4
SCHEMBL2928286 0.73 HTT (0.46) MAPKAPK2CA1CA2
SCHEMBL13385350 0.73 EPHX2 (0.47) CA1CA12CA9HDAC1HDAC10

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 MAPKAPK2 2270/4885RORC 3755/4885CA1 2542/4885

“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.