SCHEMBL1648268

SCHEMBL1648268

COC(=O)c1cc(Br)ccc1CSc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL7573622 0.89 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL10908139 0.84 KMT2A (0.48) L3MBTL1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL31123678 0.83 SMN1; SMN2 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31123647 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11274332 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL152998 0.78 NR4A2 (0.50) L3MBTL1ALDH1A1GAARAB9AMAPT
SCHEMBL29828567 0.78 NR4A2 (0.50) L3MBTL1ALDH1A1GAARAB9AMAPT
SCHEMBL10920926 0.77 ALDH1A1 (0.53) L3MBTL1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL12554580 0.77 L3MBTL1 (0.52) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7662781 0.76 NR4A2 (0.49) L3MBTL1ALDH1A1GAARAB9AMAPT

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 360/4885GAA 93/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS L3MBTL1 3806/4885ALDH1A1 360/4885GAA 93/4885

“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.