SCHEMBL1649043

SCHEMBL1649043

COC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(-c2ccoc2)c1C#CCNC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.35
NAT1 P18440 2/20 0.32
METAP2 P50579 2/20 0.32
HPGD P15428 4/20 0.32
XBP1 P17861 4/20 0.32
HTT P42858 4/20 0.32
NPSR1 Q6W5P4 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
JAK2 O60674 2/20 0.32
S1PR4 O95977 2/20 0.32
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 2/20 0.31
ATM Q13315 1/20 0.31
DDB1 Q16531 1/20 0.31

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
SCHEMBL14727527 0.85 METAP2 (0.35) NAT1METAP2HPGDXBP1HTT
SCHEMBL1648987 0.84 METAP2 (0.36) NAT1METAP2
SCHEMBL1649273 0.83 MALT1 (0.39) NAT1METAP2HPGDXBP1HTT
SCHEMBL1648181 0.82 CA1 (0.40) METAP2HPGDXBP1HTTNPSR1
SCHEMBL1648314 0.82 NPSR1 (0.37) METAP2HPGDXBP1HTTNPSR1
SCHEMBL1648453 0.79 NPSR1 (0.36) NAT1METAP2HPGDXBP1HTT
SCHEMBL1648290 0.78 METAP2 (0.39) NAT1METAP2HPGDMAPTHSD17B10
SCHEMBL6844888 0.78 NAT1 (0.40) NAT1METAP2HTTLMNAMEN1
SCHEMBL1648514 0.78 MALT1 (0.42) NAT1METAP2HPGDXBP1HTT
SCHEMBL1648460 0.77 NAT1 (0.36) NAT1METAP2HPGDALDH1A1CA1

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-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-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 PTPN11 2179/4885NAT1 136/4885METAP2 1/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS PTPN11 2179/4885NAT1 136/4885METAP2 1/4885

“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.