SCHEMBL1648527

SCHEMBL1648527

COC(=O)c1c(CS(=O)(=O)C2CC3C=CC2CC3)ccc(Br)c1OC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD4 P21917 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
HIF1A Q16665 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL1648940 0.82 METAP2 (0.39)
SCHEMBL1648202 0.81 SIGMAR1 (0.34) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL1650155 0.79 MEN1 (0.36) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL1649232 0.78 SIGMAR1 (0.38) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL16863821 0.77 MEN1 (0.33) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL14725788 0.74 CA1 (0.38) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL1648942 0.73 SIGMAR1 (0.38) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL1648543 0.73 CA12 (0.37) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL1648540 0.73 MEN1 (0.36) MEN1HTR1AADRA2ACYP2D6DRD2
SCHEMBL1648538 0.73 CA1 (0.37) MEN1HTR1AADRA2ACYP2D6DRD2

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
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 MEN1 1603/4885HTR1A 1817/4885ADRA2A 3548/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS MEN1 1603/4885HTR1A 1817/4885ADRA2A 3548/4885

“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.