SCHEMBL1648539

SCHEMBL1648539

COc1c(Br)ccc(CS(=O)(=O)c2ccccc2C=CCN2CCCCC2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 3/20 0.37
TSHR P16473 3/20 0.36
APP P05067 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 4/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL14718068 1.00 METAP2 (0.47) METAP2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14717509 0.92 METAP2 (0.42) METAP2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1648351 0.92 METAP2 (0.42) METAP2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14717508 0.92 METAP2 (0.42) METAP2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1648544 0.87 METAP2 (0.35) METAP2SMN1; SMN2TSHR
SCHEMBL14717327 0.87 METAP2 (0.35) METAP2SMN1; SMN2TSHR
SCHEMBL1647960 0.83 METAP2 (0.43) METAP2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1647958 0.83 METAP2 (0.43) METAP2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14717945 0.83 METAP2 (0.43) METAP2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1648308 0.78 ALDH1A1 (0.34) METAP2ALDH1A1KDM4ELMNAGAA

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 6 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
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 360/4885SMN1; SMN2 2123/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS METAP2 1/4885ALDH1A1 360/4885SMN1; SMN2 2123/4885

“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.