SCHEMBL29910262

SCHEMBL29910262

CC(C)(C)OC(=O)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.65
PDK2 Q15119 1/20 0.65
PDK3 Q15120 1/20 0.65
PDK4 Q16654 1/20 0.65
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.57
NR1H4 Q96RI1 2/20 0.56
MAOB P27338 1/20 0.56
LTA4H P09960 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.53
AURKA O14965 1/20 0.52
RPS6KB1 P23443 1/20 0.52
NR4A2 P43354 1/20 0.51
MGLL Q99685 1/20 0.50

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
SCHEMBL22920172 1.00 PDK1 (0.65) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4032867 0.90 NPC1 (0.57) PDK1PDK2PDK3PDK4MEN1
SCHEMBL595941 0.88 MAOB (0.59) PDK1PDK2PDK3PDK4MAOB
SCHEMBL14860980 0.88 MAOB (0.59) PDK1PDK2PDK3PDK4MEN1
SCHEMBL20132317 0.87 PDK1 (0.51) PDK1PDK2PDK3PDK4MEN1
SCHEMBL7076430 0.86 KMT2A (0.65) MEN1KMT2ALMNANR1H4MAOB
SCHEMBL12533268 0.85 SIRT2 (0.60) PDK1PDK2PDK3PDK4NR1H4
SCHEMBL2987817 0.85 RAB9A (0.74) MEN1KMT2ALTA4HNPC1RAB9A
SCHEMBL480266 0.84 MAPK1 (0.61) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL7143402 0.84 MEN1 (0.60) PDK1PDK2PDK3PDK4MEN1

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-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII 2022-09-15 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-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 PDK1 1474/4885PDK2 2155/4885PDK3 2514/4885

“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.