SCHEMBL436661

SCHEMBL436661

CC(C)(C)OC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc2c1oc(=O)c1occc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
HSD11B1 P28845 1/20 0.33
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
JAK2 O60674 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL434719 0.85 TSHR (0.35) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL16289961 0.79 MAOA (0.34) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL435878 0.75 ESR1 (0.38) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL460299 0.72 ELANE (0.35) ELANEHSD11B1MMP13ALDH1A1HPGD
SCHEMBL438398 0.71 ELANE (0.40) ELANEHSD11B1MMP13ALDH1A1MEN1
SCHEMBL435749 0.71 ELANE (0.34) ELANEHSD11B1MMP13ALDH1A1HPGD
SCHEMBL1648460 0.69 NAT1 (0.36) ELANEHSD11B1MMP13ALDH1A1HPGD
SCHEMBL14936648 0.68 MAPT (0.41) MAOAMAOBALDH1A1KDM4EMEN1
SCHEMBL434274 0.67 SLC40A1 (0.35) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL435750 0.67 MMP13 (0.32) ELANEMMP13

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 ELANE 243/4885MAOA 179/4885MAOB 175/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 ELANE 243/4885MAOA 179/4885MAOB 175/4885

“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.