SCHEMBL20401009

SCHEMBL20401009

CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
PDK2 Q15119 1/20 0.53
PDK4 Q16654 1/20 0.53
GPR35 Q9HC97 2/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.50
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL6071319 0.83 L3MBTL1 (0.71) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL2569392 0.83 L3MBTL1 (0.67) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL1781383 0.82 L3MBTL1 (0.65) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL3190849 0.82 L3MBTL1 (0.65) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL2236400 0.81 GPR35 (0.56) L3MBTL1GPR35KMT2AHPGDMEN1
SCHEMBL4620526 0.80 L3MBTL1 (0.62) L3MBTL1PDK2PDK4KMT2AHPGD
SCHEMBL509411 0.80 L3MBTL1 (0.71) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL578933 0.79 ALDH1A1 (0.66) L3MBTL1GPR35KMT2AHPGDALDH1A1
SCHEMBL5396641 0.79 L3MBTL1 (0.69) L3MBTL1KMT2AHPGDMEN1NPSR1
SCHEMBL5913520 0.79 L3MBTL1 (0.69) L3MBTL1KMT2AHPGDMEN1NPSR1

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 4 patents. 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
US-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2022-04-12 US disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO disclosed
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO 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 (2 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-11299480-B2 2-arylsulfonamido-N-arylacetamide derivatized STAT3 inhibitors STAT3, JAK2, STAT5A L3MBTL1 3632/4885PDK2 1479/4885PDK4 2874/4885
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 L3MBTL1 3474/4885PDK2 2155/4885PDK4 3298/4885

“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.