SCHEMBL63185

SCHEMBL63185

CC(N)(CS(=O)(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.49
GGT1 P19440 1/20 0.43
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
BLM P54132 2/20 0.38
GRM2 Q14416 1/20 0.37
NOS1 P29475 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL63144 1.00 NOS2 (0.49) NOS2GGT1ARG1ARG2BLM
SCHEMBL63003 1.00 NOS2 (0.49) NOS2GGT1ARG1ARG2BLM
SCHEMBL11740166 0.81 NOS2 (0.49) NOS2GGT1ARG1ARG2BLM
Sulfuric Acid SCHEMBL29720683 0.76 NOS2 (0.44) NOS2GGT1ARG1ARG2BLM
SCHEMBL6555692 0.75 ELANE (0.37) NOS2ALDH1A1ADRA1ATSHRCYP2D6
SCHEMBL3904807 0.74 TDP1 (0.32) NOS2TDP1
SCHEMBL1835534 0.74
SCHEMBL366571 0.74
Methane SCHEMBL8556905 0.73 ALDH1A1 (0.33) NOS2BLMALDH1A1CYP2C19L3MBTL1
SCHEMBL9987195 0.73 ALDH1A1 (0.33) NOS2BLMALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276757-B1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIV FLORIDA (US) 2016-01-06 EP disclosed
US-20150210718-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIV FLORIDA (US) 2015-07-30 US disclosed
US-9023875-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9023875-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9023875-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 US disclosed
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 US disclosed
US-20140031400-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-01-30 US disclosed
US-20140031400-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-01-30 US disclosed
US-20140031400-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-01-30 US disclosed
US-20110118323-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-19 US disclosed
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-04-21 US disclosed
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-04-21 US disclosed
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-04-21 US disclosed
EP-2276757-A2 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT University of Florida Research Foundation, Inc. (US) 2011-01-26 EP disclosed
EP-2190449-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT University of Florida Research Foundation, Inc. (US) 2010-06-02 EP disclosed
WO-2009126315-A2 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-10-15 WO disclosed
WO-2009105284-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-08-27 WO disclosed
WO-2009032352-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-03-12 WO disclosed
US-4302593-A RECOVERING THE AMINO ACID FROM THE COMPOUND AS A MEANS OF SEPARATION OR PURIFICATION FROM SOLUTION LOWE ORVILLE G 1981-11-24 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 (4 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-20110118323-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT MKI67, MCL1, MYC NOS2 1476/4885GGT1 1483/4885ARG1 831/4885
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS MKI67, CCNC, PCNA NOS2 677/4885GGT1 585/4885ARG1 2392/4885
US-20150210718-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT HDAC1, HDAC11, HDAC3 NOS2 2153/4885GGT1 774/4885ARG1 860/4885
US-20140031400-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT MKI67, MCL1, MYC NOS2 1476/4885GGT1 1483/4885ARG1 831/4885

“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.