SCHEMBL2957950

SCHEMBL2957950

CC1=Nc2cc(CCCCS(=O)(=O)O)c3ccccc3c2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.33
MGLL Q99685 1/20 0.31

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
SCHEMBL2957957 0.80 MEN1 (0.43) MEN1KMT2AMCL1
SCHEMBL18894226 0.76 MEN1 (0.37) MEN1KMT2A
SCHEMBL7701818 0.75 MEN1 (0.54) MEN1KMT2A
SCHEMBL5072444 0.73 MEN1 (0.37) MEN1KMT2A
SCHEMBL16013551 0.71 MGLL (0.35) MGLL
SCHEMBL5556294 0.71 MEN1 (0.35) MEN1KMT2A
SCHEMBL18920267 0.71 MEN1 (0.56) MEN1KMT2A
SCHEMBL10035881 0.70 MEN1 (0.46) MEN1KMT2A
SCHEMBL14566372 0.68 MEN1 (0.55) MEN1KMT2A
SCHEMBL723300 0.68 KMT2A (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11027027-B2 Pyridazinoindole compounds and methods for PET imaging VANDERBILT UNIVERSITY (US) 2021-06-08 US disclosed
US-20160220704-A1 PYRIDAZINOINDOLE COMPOUNDS AND METHODS FOR PET IMAGING VANDERBILT UNIVERSITY 2016-08-04 US disclosed
US-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
US-20130059343-A1 NUCLEOTIDE DERIVATIVES LI-COR, INC. (US) 2013-03-07 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-8367714-B2 Cannabinoid receptor targeted agent VANDERBILT UNIVERSITY (US) 2013-02-05 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-20100324130-A1 DAA PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR CANCER IMAGING AND TREATMENT US ARMY, SECRETARY OF THE ARMY 2010-12-23 US disclosed
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY 2010-11-04 US disclosed
US-7754884-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2010-07-13 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
WO-2009029727-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERBILT UNIVERSITY (US) 2009-03-05 WO disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
EP-1841466-A2 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY (US) 2007-10-10 EP disclosed
WO-2006074129-A2 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY (US) 2006-07-13 WO disclosed
US-20060147379-A1 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2006-07-06 US disclosed
EP-1019887-B1 FLUORESCENT CYANINE DYES LI COR INC (US) 2003-04-02 EP disclosed
US-6027709-A BENZO(E)INDOLE-BASED DYES USEFUL AS REPORTER GROUPS FOR LABELING BIOMOECULES; SOLUBILITY RETAINED BY BIOMOLECULE; ATTACHMENT TO DNA, NUCLEOTIDES, PEPTIDES, HORMONES, ENZYMES ETC.; LASER ACTIVATION LI-COR INC. (US) 2000-02-22 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 (9 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-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING TSPO, MKI67, CNR1 MEN1 2657/4885KMT2A 3444/4885MCL1 879/4885
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT CNR1, CNR2, NPY1R MEN1 1767/4885KMT2A 1556/4885MCL1 932/4885
US-11027027-B2 Pyridazinoindole compounds and methods for PET imaging TSPO, SLC25A17, SLC19A2 MEN1 482/4885KMT2A 4237/4885MCL1 4417/4885
US-20160220704-A1 PYRIDAZINOINDOLE COMPOUNDS AND METHODS FOR PET IMAGING TSPO, SLC25A17, SLC19A2 MEN1 482/4885KMT2A 4237/4885MCL1 4417/4885
US-20100324130-A1 DAA PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR CANCER IMAGING AND TREATMENT GABRA6, GABRA1, GABRA4 MEN1 1648/4885KMT2A 480/4885MCL1 581/4885
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING TSPO, MKI67, GABRA4 MEN1 3250/4885KMT2A 2948/4885MCL1 653/4885
US-20130059343-A1 NUCLEOTIDE DERIVATIVES NUDT1, DUT, NT5C3B MEN1 2418/4885KMT2A 1725/4885MCL1 1316/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 MEN1 3250/4885KMT2A 2948/4885MCL1 653/4885
US-20060147379-A1 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging TSPO, MKI67, GABRA4 MEN1 3250/4885KMT2A 2948/4885MCL1 653/4885

“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.