SCHEMBL1648140

SCHEMBL1648140

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.46
MTNR1B P49286 8/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.38
DHFR P00374 1/20 0.38

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 0.89 ALOX5 (0.38) MTNR1AMTNR1BALDH1A1LMNAL3MBTL1
SCHEMBL1648221 0.88 ALOX5 (0.43) ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL1648989 0.88 L3MBTL1 (0.40) ALDH1A1LMNAL3MBTL1MAPTKMT2A
SCHEMBL1648194 0.87 L3MBTL1 (0.46) ALDH1A1LMNAL3MBTL1MAPTKMT2A
SCHEMBL1650025 0.80 ALOX5 (0.39) ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL18801445 0.79 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1LMNAL3MBTL1
SCHEMBL1648293 0.79 KMT2A (0.39) ALDH1A1LMNAMAPTHSD17B10KMT2A
SCHEMBL1648422 0.78 ALOX5 (0.52) ALDH1A1LMNAMAPTKMT2A
SCHEMBL18801137 0.77 KMT2A (0.43) ALDH1A1LMNAL3MBTL1MAPTHSD17B10
SCHEMBL1648273 0.77 CA12 (0.41) LMNAMAPTHSD17B10KMT2AEGFR

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 MTNR1A 1752/4885MTNR1B 916/4885ALDH1A1 360/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS MTNR1A 1752/4885MTNR1B 916/4885ALDH1A1 360/4885

“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.