SCHEMBL1648587

SCHEMBL1648587

COc1c(-c2ccoc2)ccc(CS(=NC#N)c2ccccc2)c1C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
METAP2 P50579 3/20 0.35
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKCZ Q05513 2/20 0.33
ADORA2B P29275 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE7B Q9NP56 1/20 0.32

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
SCHEMBL6844892 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1GLAMAPT
SCHEMBL1648585 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1GLAMAPT
SCHEMBL1648550 0.79 METAP2 (0.39) ALDH1A1KDM4EMEN1GLAMAPT
SCHEMBL1648474 0.77 METAP2 (0.38) ALDH1A1KDM4EMEN1GLAMAPT
SCHEMBL1649983 0.67 METAP2 (0.47) METAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18801327 0.66 PPARG (0.41) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1648250 0.66 METAP2 (0.43) KDM4EMAPTKMT2AMETAP2NPC1
SCHEMBL1650137 0.65 METAP2 (0.37) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL1648177 0.64 PPARG (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1648294 0.64 METAP2 (0.38) ALDH1A1MAPTTSHRHSD17B10METAP2

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 ALDH1A1 360/4885KDM4E 974/4885MEN1 1603/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ALDH1A1 360/4885KDM4E 974/4885MEN1 1603/4885

“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.