SCHEMBL1648989

SCHEMBL1648989

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
BDKRB1 P46663 3/20 0.37
HPGD P15428 1/20 0.37
HTR2A P28223 1/20 0.36
P2RX7 Q99572 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1648083 0.88 ALOX5 (0.38) L3MBTL1ALDH1A1LMNABDKRB1HPGD
SCHEMBL1648140 0.88 MTNR1A (0.46) L3MBTL1ALDH1A1LMNAKMT2AMAPT
SCHEMBL1648221 0.87 ALOX5 (0.43) L3MBTL1ALDH1A1LMNAHPGDMEN1
SCHEMBL1650025 0.86 ALOX5 (0.39) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL1648194 0.86 L3MBTL1 (0.46) L3MBTL1ALDH1A1LMNAHPGDMEN1
SCHEMBL1648199 0.83 ALOX5 (0.36) L3MBTL1ALDH1A1HPGDHTR2AP2RX7
SCHEMBL1648560 0.80 CYP3A4 (0.39) L3MBTL1ALDH1A1LMNABDKRB1MEN1
SCHEMBL28104588 0.79 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNAMRGPRX4NPC1
SCHEMBL1648293 0.78 KMT2A (0.39) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL1648422 0.78 ALOX5 (0.52) ALDH1A1LMNAHPGDHTR2AMEN1

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 L3MBTL1 3806/4885ALDH1A1 360/4885LMNA 4621/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS L3MBTL1 3806/4885ALDH1A1 360/4885LMNA 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.