SCHEMBL1648538

SCHEMBL1648538

COC(=O)c1c(CS(=O)(=O)O)ccc(Br)c1OC.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD4 P21917 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14725788 0.99 CA1 (0.38) CA1CA2CA9CA12CA7
SCHEMBL1648543 0.97 CA12 (0.37) CA1CA2CA9CA12CA7
SCHEMBL1648540 0.86 MEN1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL1648938 0.83 MEN1 (0.34) CA1CA2CA9CA12CA7
SCHEMBL1648693 0.83 CA2 (0.36) CA1CA2CA9CA12CA7
SCHEMBL435766 0.82 ALDH1A1 (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1648929 0.81 ALDH1A1 (0.39) KMT2AMAPTCYP2D6CYP2C19SMN1; SMN2
SCHEMBL30004264 0.81 MEN1 (0.40) CA1CA2CA9CA12CA7
SCHEMBL436677 0.81 MEN1 (0.40) CA1CA2CA9CA12CA7
SCHEMBL1648256 0.81 PLCG1 (0.41) CA1CA2CA9MEN1KMT2A

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 CA1 1032/4885CA2 639/4885CA9 662/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS CA1 1032/4885CA2 639/4885CA9 662/4885

“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.