SCHEMBL1648314

SCHEMBL1648314

COC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(-c2ccoc2)c1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 9/20 0.35
CA2 P00918 9/20 0.35
METAP2 P50579 3/20 0.35
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
MALT1 Q9UDY8 1/20 0.35
NQO2 P16083 1/20 0.34
MCL1 Q07820 1/20 0.33
IDO1 P14902 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL14727527 0.90 METAP2 (0.35) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1648181 0.89 CA1 (0.40) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1649273 0.86 MALT1 (0.39) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1649052 0.85 CA1 (0.41) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1650053 0.85 METAP2 (0.37) HTTMETAP2MCL1
SCHEMBL1648412 0.84 CA1 (0.40) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1648514 0.83 MALT1 (0.42) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1649043 0.82 PTPN11 (0.35) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1648204 0.82 CA12 (0.37) NPSR1ALDH1A1TP53GLAMAPT
SCHEMBL1650005 0.82 METAP2 (0.40) METAP2MCL1

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 9 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
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 NPSR1 1100/4885ALDH1A1 360/4885TP53 4462/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS NPSR1 1100/4885ALDH1A1 360/4885TP53 4462/4885

“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.