SCHEMBL1647731

SCHEMBL1647731

CNCCOc1c(-c2ccoc2)ccc(CS(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.42
KDM4E B2RXH2 3/20 0.36
MCL1 Q07820 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
NAT1 P18440 3/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 1/20 0.33
CACNA1B Q00975 1/20 0.32
HTR6 P50406 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Hydrochloric Acid SCHEMBL1650055 0.99 METAP2 (0.41) METAP2KDM4EMCL1FABP4FABP5
SCHEMBL1648728 0.89 METAP2 (0.41) METAP2MCL1FABP4FABP5NAT1
SCHEMBL1649915 0.89 METAP2 (0.43) METAP2MCL1FABP4FABP5NAT1
SCHEMBL6844903 0.87 METAP2 (0.39) METAP2MCL1FABP4FABP5NAT1
SCHEMBL1649388 0.87 METAP2 (0.39) METAP2MCL1FABP4FABP5NAT1
SCHEMBL1648269 0.87 METAP2 (0.43) METAP2MCL1FABP4FABP5NAT1
SCHEMBL1648412 0.87 CA1 (0.40) METAP2FABP4FABP5ALDH1A1
SCHEMBL1649052 0.87 CA1 (0.41) METAP2POLBALDH1A1
SCHEMBL1648645 0.87 METAP2 (0.42) METAP2KDM4EMCL1FABP4FABP5
Hydrochloric Acid SCHEMBL1648362 0.87 METAP2 (0.39) METAP2MCL1FABP4FABP5NAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP claimed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO claimed
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 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 (1 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-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS METAP2 1/4885KDM4E 974/4885MCL1 4256/4885

“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.