SCHEMBL1464604

SCHEMBL1464604

O=C(O)c1ccc(SSc2ccc(C(=O)O)c(N3C(=O)CCC3=O)c2)cc1N1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
DTYMK P23919 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPK1 P28482 1/20 0.35
MYC P01106 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL6887707 0.80 CA12 (0.48) CA12CA1CA9GAAHPGD
SCHEMBL31653832 0.79 KEAP1 (0.43) CA12CA1CA9GAAHPGD
SCHEMBL317626 0.79 CA12 (0.42) CA12CA1CA9GAAHPGD
SCHEMBL317703 0.79 KEAP1 (0.43) CA12CA1CA9GAAHPGD
SCHEMBL29832561 0.78 DTYMK (0.33) CA12CA1CA9DTYMKGAA
SCHEMBL610788 0.77 CA12 (0.41) CA12CA1CA9GAAHPGD
SCHEMBL10627311 0.76 MCL1 (0.42) CA12CA1CA9GAAHPGD
SCHEMBL4256629 0.75 GAA (0.41) CA12CA1CA9GAAHPGD
SCHEMBL9596295 0.75 CA12 (0.39) CA12CA1CA9GAAHPGD
SCHEMBL1464495 0.75 DTYMK (0.46) CA12CA1CA9DTYMKGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070661-A1 RAMAN-ACTIVE REAGENTS AND THE USE THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-03-24 US claimed
US-20110070662-A1 RAMAN-ACTIVE REAGENTS AND THE USE THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-03-24 US claimed
US-7829348-B2 Raman-active reagents and the use thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-09 US claimed
US-20100279272-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES GE HOMELAND PROTECTION, INC. 2010-11-04 US claimed
US-7824926-B1 Raman-active reagents and the use thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-02 US claimed
US-20050089901-A1 Raman-active reagents and the use thereof NI, JING 2005-04-28 US claimed
US-10088478-B2 Fluorescence enhancing plasmonic nanoscopic gold films and assays based thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-10-02 US disclosed
US-9823246-B2 Fluorescence enhancing plasmonic nanoscopic gold films and assays based thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-11-21 US disclosed
US-20150226738-A1 FLUORESCENCE ENHANCING PLASMONIC NANOSCOPIC GOLD FILMS AND ASSAYS BASED THEREON THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-08-13 US disclosed
US-8873038-B2 Tailored raman spectrocopic probes for ultrasensitive and highly multiplexed assays THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-28 US disclosed
US-20130172207-A1 FLUORESCENCE ENHANCING PLASMONIC NANOSCOPIC GOLD FILMS AND ASSAYS BASED THEREON THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-07-04 US disclosed
US-20120212733-A1 TAILORED RAMAN SPECTROCOPIC PROBES FOR ULTRASENSITIVE AND HIGHLY MULTIPLEXED ASSAYS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2012-08-23 US disclosed
US-20110070662-A1 RAMAN-ACTIVE REAGENTS AND THE USE THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-03-24 US disclosed
EP-2255175-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES Morpho Detection, Inc. (US) 2010-12-01 EP disclosed
US-7829348-B2 Raman-active reagents and the use thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-09 US disclosed
US-20100279272-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES GE HOMELAND PROTECTION, INC. 2010-11-04 US disclosed
US-7824926-B1 Raman-active reagents and the use thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-02 US disclosed
WO-2009102598-A1 MULTIPLEXED ANALYSIS METHODS USING SERS-ACTIVE NANOPARTICLES GENERAL ELECTRIC COMPANY (US) 2009-08-20 WO disclosed
US-20070072309-A1 Analytical compositions including nanometer-sized transducers, methods to make thereof, and devices therefrom GENERAL ELECTRIC COMPANY 2007-03-29 US disclosed
US-20050089901-A1 Raman-active reagents and the use thereof NI, JING 2005-04-28 US disclosed