SCHEMBL1648936

SCHEMBL1648936

CCc1ccc(CS(=O)(=O)c2ccccc2)c(C(=O)O)c1OCCNOC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.42
ALDH1A1 P00352 2/20 0.35
HSD11B1 P28845 3/20 0.34
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.33
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1648523 0.86 CA1 (0.47) METAP2ALDH1A1HTT
SCHEMBL1648193 0.81 METAP2 (0.54) METAP2HSD11B1TSHRKMT2A
Hydrochloric Acid SCHEMBL1648043 0.80 METAP2 (0.53) METAP2HSD11B1TSHRKMT2A
SCHEMBL1648546 0.78 CA1 (0.45) METAP2ALDH1A1KMT2AHTT
SCHEMBL1648340 0.77 METAP2 (0.50) METAP2ALDH1A1HSD11B1TSHRKEAP1
SCHEMBL28104284 0.73 PSIP1 (0.46) ALDH1A1HSD11B1TSHRKMT2AMEN1
SCHEMBL1648412 0.71 CA1 (0.40) METAP2ALDH1A1HTT
SCHEMBL1649052 0.71 CA1 (0.41) METAP2ALDH1A1HTT
SCHEMBL1648347 0.70 METAP2 (0.46) METAP2ALDH1A1HSD11B1KEAP1NFE2L2
SCHEMBL1647731 0.69 METAP2 (0.42) METAP2ALDH1A1KDM4EGAA

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 7 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
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-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
CN-102639494-A Sulphone compounds and methods of making and using same ZAFGEN CORP 2012-08-15 CN 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 METAP2 1/4885ALDH1A1 360/4885HSD11B1 421/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS METAP2 1/4885ALDH1A1 360/4885HSD11B1 421/4885

“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.