SCHEMBL3036841

SCHEMBL3036841

O=C(CI)NCCNc1cccc2cccc(S(=O)(=O)O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
FABP4 P15090 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
MAPK14 Q16539 1/20 0.49
NR4A1 P22736 1/20 0.48
CD40 P25942 3/20 0.42
CD40LG P29965 3/20 0.42
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CASP6 P55212 1/20 0.35
NPY5R Q15761 2/20 0.35
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 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
SCHEMBL10478980 0.87 TTR (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29358898 0.83 CA12 (0.44) TTRCD40CD40LGCA12CA9
SCHEMBL29355645 0.83 CA12 (0.44) TTRCD40CD40LGCA12CA9
SCHEMBL25745 0.83 CA12 (0.44) TTRCD40CD40LGCA12CA9
SCHEMBL10882233 0.82 TTR (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL9627398 0.79 CASP6 (0.58) CA12CA9CA4CA7CA14
Sulfuric Acid SCHEMBL6255051 0.79 CA12 (0.62) CA12CA9CA4CA7CA14
SCHEMBL21857967 0.79 TTR (0.54) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8514648 0.78 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL30950399 0.78 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000077520-A1 LABELLING OF PEPTIDES AND PROTEINS PROTEOSYS AG (DE) 2000-12-21 WO claimed
EP-1059531-A1 Labelling of peptides and proteins Nordheim, Alfred, Prof. Dr. (DE) 2000-12-13 EP claimed
EP-2719394-B1 Peptides for treating amyloid-associated diseases UNIV TEL AVIV FUTURE TECH DEV (IL) 2015-07-29 EP disclosed
US-8993510-B2 Peptides and methods using same for diagnosis and treatment of amyloid-associated disease TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2015-03-31 US disclosed
EP-2719394-A1 Peptides antibodies directed thereagainst for diagnosing and treating amyloid-associated diseases Tel Aviv University Future Technology Development L.P. (IL) 2014-04-16 EP disclosed
US-8697634-B2 Peptides and methods using same for diagnosis and treatment of amyloid-associated disease TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2014-04-15 US disclosed
US-20130338076-A1 PEPTIDES AND METHODS USING SAME FOR DIAGNOSIS AND TREATMENT OF AMYLOID-ASSOCIATED DISEASE TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2013-12-19 US disclosed
US-7781396-B2 Peptides directed for diagnosis and treatment of amyloid-associated disease TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2010-08-24 US disclosed
US-20100105608-A1 Peptides and methods using same for diagnosis and treatment of amyloid-associated disease TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2010-04-29 US disclosed
US-20100022459-A1 Peptides directed for diagnosis and treatment of amyloid-associated diseases Tel Aviv University Future Technology Development L.P (IL) 2010-01-28 US disclosed
US-20070021345-A1 Peptides antibodies directed thereagainst and methods using same for diagnosing and treating amyloid-associated diseases TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2007-01-25 US disclosed
US-20060234947-A1 Peptides antibodies directed thereagainst and methods using same for diagnosing and treating amyloid-associated diseases Tel Aviv University Future Technology Development L.P (IL) 2006-10-19 US disclosed
EP-1534310-A4 PEPTIDES ANTIBODIES DIRECTED THEREAGAINST AND METHODS USING SAME FOR DIAGNOSING AND TREATING AMYLOID-ASSOCIATED DISEASES UNIV TEL AVIV FUTURE TECH DEV (IL) 2006-05-31 EP disclosed
EP-1638517-A2 PEPTIDES ANTIBODIES DIRECTED THEREAGAINST AND METHODS USING SAME FOR DIAGNOSING AND TREATING AMYLOID-ASSOCIATED DISEASES Tel Aviv University Future Technology Development L.P. (IL) 2006-03-29 EP disclosed
EP-1534310-A2 PEPTIDES ANTIBODIES DIRECTED THEREAGAINST AND METHODS USING SAME FOR DIAGNOSING AND TREATING AMYLOID-ASSOCIATED DISEASES Tel Aviv University Future Technology Development L.P. (IL) 2005-06-01 EP disclosed
US-20050020809-A1 Peptides antibodies directed thereagainst and methods using same for diagnosing and treating amyloid-associated diseases TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2005-01-27 US disclosed
WO-2005000193-A2 PEPTIDES ANTIBODIES DIRECTED THEREAGAINST AND METHODS USING SAME FOR DIAGNOSING AND TREATING AMYLOID-ASSOCIATED DISEASES TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2005-01-06 WO disclosed
WO-2003063760-A2 PEPTIDES ANTIBODIES DIRECTED THEREAGAINST AND METHODS USING SAME FOR DIAGNOSING AND TREATING AMYLOID-ASSOCIATED DISEASES TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2003-08-07 WO disclosed
US-4797480-A New biologically active fluorescent cyclic nucleotides UNIVERSITA DEGLI STUDI DI PARMA (IT) 1989-01-10 US disclosed
EP-0205005-A2 New biologically active fluorescent cyclic nucleotides UNIVERSITA' DEGLI STUDI DI PARMA (IT) 1986-12-17 EP 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 (5 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-20060234947-A1 Peptides antibodies directed thereagainst and methods using same for diagnosing and treating amyloid-associated diseases IAPP, NGLY1, APP TTR 36/4885FABP4 3054/4885CCNA2 4802/4885
US-20100022459-A1 Peptides directed for diagnosis and treatment of amyloid-associated diseases APP, IAPP, PEPD TTR 5/4885FABP4 2745/4885CCNA2 4733/4885
US-20130338076-A1 PEPTIDES AND METHODS USING SAME FOR DIAGNOSIS AND TREATMENT OF AMYLOID-ASSOCIATED DISEASE APP, IAPP, ENPEP TTR 11/4885FABP4 2987/4885CCNA2 4722/4885
US-20070021345-A1 Peptides antibodies directed thereagainst and methods using same for diagnosing and treating amyloid-associated diseases IAPP, NGLY1, APP TTR 36/4885FABP4 3054/4885CCNA2 4802/4885
US-20100105608-A1 Peptides and methods using same for diagnosis and treatment of amyloid-associated disease APP, IAPP, ENPEP TTR 11/4885FABP4 2987/4885CCNA2 4722/4885

“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.