SCHEMBL1648543

SCHEMBL1648543

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA7 P43166 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
METAP2 P50579 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MMP2 P08253 1/20 0.33
ADAM17 P78536 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 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) CA12CA1CA2CA9CA14
SCHEMBL1648538 0.97 CA1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL1648540 0.86 MEN1 (0.36) CA12CA1CA2CA9CA14
SCHEMBL435766 0.84 ALDH1A1 (0.44) MEN1KMT2AMAPTMMP2ALDH1A1
SCHEMBL1648929 0.84 ALDH1A1 (0.39) KMT2AMAPTALDH1A1CYP2D6CYP2C19
SCHEMBL1648693 0.83 CA2 (0.36) CA12CA1CA2CA9CA14
SCHEMBL1648938 0.83 MEN1 (0.34) CA12CA1CA2CA9CA14
SCHEMBL1649011 0.82 POLB (0.49) MAPTMETAP2MMP2ADAM17ALDH1A1
SCHEMBL1648315 0.82 ALDH1A1 (0.36) CA12CA1CA2CA9CA14
SCHEMBL1649076 0.82 MEP1B (0.45) MEN1KMT2AMAPTALOX15HDAC1

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 CA12 711/4885CA1 1032/4885CA2 639/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS CA12 711/4885CA1 1032/4885CA2 639/4885

“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.