SCHEMBL1647713

SCHEMBL1647713

COc1c(-c2cccs2)ccc(CS(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
KMT2A Q03164 4/20 0.37
TNFRSF1A P19438 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
KEAP1 Q14145 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NFE2L2 Q16236 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 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
SCHEMBL1648525 0.91 MAPT (0.44) ERN1KMT2AMAPTMEN1POLB
SCHEMBL1647754 0.84 KMT2A (0.43) KMT2AKEAP1ALDH1A1NFE2L2SMN1; SMN2
SCHEMBL1648189 0.84 ALOX5AP (0.36) KMT2AMAPTHTTTP53KEAP1
SCHEMBL1646328 0.83 ALDH1A1 (0.39) KMT2AKEAP1ALDH1A1NFE2L2SMN1; SMN2
SCHEMBL1648425 0.82 KMT2A (0.36) KMT2AMAPTTP53KEAP1ALDH1A1
SCHEMBL6844856 0.82 HSD11B1 (0.40) KMT2AKEAP1ALDH1A1NFE2L2L3MBTL1
SCHEMBL1648340 0.80 METAP2 (0.50) KMT2AKEAP1ALDH1A1NFE2L2L3MBTL1
SCHEMBL1649919 0.79 KEAP1 (0.42) KMT2AMEN1KEAP1ALDH1A1NFE2L2
SCHEMBL1649016 0.79 METAP2 (0.47) KMT2AKEAP1ALDH1A1NFE2L2L3MBTL1
SCHEMBL1648035 0.78 KEAP1 (0.38) KMT2AMAPTTP53KEAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP claimed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US claimed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US claimed
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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-02-25 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US 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
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, STS ERN1 3733/4885KMT2A 666/4885TNFRSF1A 4743/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ERN1 3733/4885KMT2A 666/4885TNFRSF1A 4743/4885

“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.