SCHEMBL1648173

SCHEMBL1648173

COC(=O)c1c(CS(=O)(=O)c2cccc(Cl)c2)ccc(-c2ccoc2)c1OCCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IDO1 P14902 2/20 0.36
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
CYP2C19 P33261 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A43 Q9HB55 1/20 0.34
FBP1 P09467 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
SCHEMBL6844869 0.93 ALDH1A1 (0.40) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1648181 0.89 CA1 (0.40) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1648088 0.86 METAP2 (0.45) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1648412 0.84 CA1 (0.40) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL18801089 0.84 IDO1 (0.40) ALDH1A1HPGDTP53MAPTHTT
SCHEMBL1649223 0.84 BRD4 (0.39) ALDH1A1IDO1CA1CA2CA12
SCHEMBL1648204 0.84 CA12 (0.37) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1649052 0.83 CA1 (0.41) ALDH1A1HPGDTP53GLAMAPT
SCHEMBL1648321 0.80 CYP1A2 (0.36) ALDH1A1HPGDMAPTHSD17B10CYP2C19
SCHEMBL1649176 0.79 METAP2 (0.49) ALDH1A1HPGDTP53GLAMAPT

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 10 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-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 ALDH1A1 360/4885HPGD 1234/4885TP53 4462/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS ALDH1A1 360/4885HPGD 1234/4885TP53 4462/4885

“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.