SCHEMBL1648221

SCHEMBL1648221

COC(=O)c1c(CSc2cccc(Cl)c2)ccc(Br)c1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL1648422 0.90 ALOX5 (0.52) ALOX5CYP2C9LMNAKMT2AALDH1A1
SCHEMBL1648083 0.88 ALOX5 (0.38) ALOX5LMNAHSP90AA1L3MBTL1KMT2A
SCHEMBL1648140 0.88 MTNR1A (0.46) LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL1648989 0.87 L3MBTL1 (0.40) ALOX5LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL1648194 0.86 L3MBTL1 (0.46) ALOX5CYP2C9LMNAL3MBTL1KMT2A
SCHEMBL1648309 0.80 LMNA (0.40) ALOX5LMNAKMT2AALDH1A1MEN1
SCHEMBL1650025 0.79 ALOX5 (0.39) ALOX5L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL28104329 0.79 MRGPRX4 (0.46) ALOX5CYP2C9LMNATRPM5L3MBTL1
SCHEMBL1648293 0.78 KMT2A (0.39) LMNAKMT2AALDH1A1MEN1HPGD
SCHEMBL1648929 0.77 ALDH1A1 (0.39) LMNAHSP90AA1L3MBTL1KMT2AALDH1A1

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 ALOX5 951/4885CYP2C9 568/4885LMNA 4621/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ALOX5 951/4885CYP2C9 568/4885LMNA 4621/4885

“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.