SCHEMBL6844905

SCHEMBL6844905

COC(=O)c1c(CS(=O)(=O)N2CCCCC2)ccc(Br)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD4 P21917 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
HIF1A Q16665 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 1/20 0.39

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 0.99 KMT2A (0.41) GLAALDH1A1KDM4EMAPTKMT2A
SCHEMBL1649264 0.87 HIF1A (0.36) ALDH1A1MAPTKMT2AMEN1HTR1A
SCHEMBL1648567 0.84 MAPK1 (0.39) ALDH1A1MAPTKMT2AMEN1HTR1A
SCHEMBL1648942 0.81 SIGMAR1 (0.38) MAPTKMT2AMEN1HTR1AADRA2A
SCHEMBL1648548 0.81 SIGMAR1 (0.38) KMT2AMEN1HTR1AADRA2ACYP2D6
SCHEMBL14725788 0.80 CA1 (0.38) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1649232 0.79 SIGMAR1 (0.38) KMT2AMEN1HTR1AADRA2ACYP2D6
SCHEMBL6844924 0.79 METAP2 (0.43) GLAALDH1A1KDM4EMAPTNPC1
SCHEMBL1648543 0.79 CA12 (0.37) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1648540 0.79 MEN1 (0.36) ALDH1A1KDM4EMAPTKMT2AMEN1

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 10 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
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 GLA 1460/4885ALDH1A1 360/4885KDM4E 974/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS GLA 1460/4885ALDH1A1 360/4885KDM4E 974/4885

“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.