SCHEMBL1648199

SCHEMBL1648199

COC(=O)c1c(CSc2ccc(F)cc2Br)ccc(Br)c1OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
HTR2A P28223 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX7 Q99572 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CCR6 P51684 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PLA2G2A P14555 1/20 0.33
PKM P14618 1/20 0.33
CXCR2 P25025 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
SCHEMBL1650025 0.85 ALOX5 (0.39) ALOX5MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1648293 0.83 KMT2A (0.39) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL1648989 0.83 L3MBTL1 (0.40) ALOX5HTR2AMEN1MAPTKMT2A
SCHEMBL1648560 0.83 CYP3A4 (0.39) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL28104341 0.82 CXCR2 (0.40) HTR2AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1648170 0.81 MTNR1A (0.44) ALOX5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL1648273 0.79 CA12 (0.41) ALOX5HTR2AHSP90AA1MEN1MAPT
SCHEMBL1648309 0.78 LMNA (0.40) ALOX5MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL1648194 0.77 L3MBTL1 (0.46) ALOX5MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL436712 0.76 METAP2 (0.41) MEN1MAPTKMT2ANPSR1P2RX7

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 951/4885HTR2A 1200/4885HSP90AA1 2794/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ALOX5 951/4885HTR2A 1200/4885HSP90AA1 2794/4885

“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.