SCHEMBL1648567

SCHEMBL1648567

COC(=O)c1c(CS(=O)(=O)N2CCC(O)C2)ccc(Br)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
DRD2 P14416 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
HIF1A Q16665 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL6844874 0.85 KMT2A (0.41) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL6844905 0.84 GLA (0.41) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL1648942 0.81 SIGMAR1 (0.38) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL1648781 0.81 METAP2 (0.40) MAPK1ATMMAPTALDH1A1HSD17B10
SCHEMBL1648548 0.81 SIGMAR1 (0.38) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL1649264 0.80 HIF1A (0.36) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL1650155 0.78 MEN1 (0.36) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL18801351 0.78 DRD2 (0.38) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL14725788 0.76 CA1 (0.38) DRD2CYP2C19MEN1HTR1AADRA2A
SCHEMBL1649232 0.75 SIGMAR1 (0.38) DRD2CYP2C19MEN1HTR1AADRA2A

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 12 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-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
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
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 MAPK1 4548/4885ATM 2224/4885DRD2 2616/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS MAPK1 4548/4885ATM 2224/4885DRD2 2616/4885

“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.