SCHEMBL16296990

SCHEMBL16296990

CCN1CCN(C2=C(NS(=O)(=O)c3cccs3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.79
MITF O75030 5/20 0.79
RAB9A P51151 1/20 0.79
MAPK1 P28482 3/20 0.77
POLB P06746 3/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
ALDH1A1 P00352 7/20 0.74
APAF1 O14727 4/20 0.72
NPSR1 Q6W5P4 2/20 0.71
ATM Q13315 1/20 0.71
TDP1 Q9NUW8 6/20 0.70
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
KDM4E B2RXH2 2/20 0.69
LMNA P02545 3/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HTT P42858 1/20 0.62
GAA P10253 2/20 0.49
NR4A1 P22736 1/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL16297068 0.89 MAPT (1.00) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16297049 0.85 MAPT (0.80) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16296821 0.84 MITF (0.69) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16297216 0.83 MAPT (1.00) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16297168 0.76 APAF1 (0.70) MAPTMITFRAB9AMAPK1POLB
SCHEMBL24355094 0.75 MITF (0.73) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16296707 0.73 MAPT (0.72) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16296991 0.72 APAF1 (1.00) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16297063 0.72 APAF1 (0.72) MAPTMITFRAB9AMAPK1POLB
SCHEMBL16296834 0.72 APAF1 (0.61) MAPTMITFRAB9AMAPK1POLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF UNIVERSITY OF KANSAS 2022-04-28 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
EP-3007688-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY The General Hospital Corporation (US) 2016-04-20 EP disclosed
WO-2014201016-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 WO disclosed
WO-2014201016-A2 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE GENERAL HOSPITAL CORPORATION (US) 2014-12-18 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 (3 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-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR MAPT 4100/4885MITF 1/4885RAB9A 805/4885
US-20170334842-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR MAPT 4092/4885MITF 1/4885RAB9A 746/4885
US-20220128562-A1 BIOMARKERS PREDICTIVE OF CANCER CELL RESPONSE TO ML329 OR A DERIVATIVE THEREOF NQO1, KEAP1, NFE2L2 MAPT 3766/4885MITF 586/4885RAB9A 1566/4885

“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.