SCHEMBL436545

SCHEMBL436545

COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)c(-c2ccoc2C(C)=O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 3/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 1/20 0.32
KEAP1 Q14145 3/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 3/20 0.31
SLC40A1 Q9NP59 1/20 0.31
PSMD14 O00487 1/20 0.31
MMP2 P08253 1/20 0.31
DNMT1 P26358 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
SCHEMBL433290 0.83 POLB (0.35) MAPTPOLBKMT2AMEN1KEAP1
SCHEMBL19696329 0.73 POLB (0.34) MAPTPOLBKMT2AMEN1KEAP1
SCHEMBL1648198 0.72 ALDH1A1 (0.38) MAPTPOLBALDH1A1HSD11B1NPC1
SCHEMBL434137 0.71 POLB (0.35) MAPTPOLBKMT2AMEN1KEAP1
SCHEMBL436086 0.71 TARBP2 (0.35) MAPTMITFPOLBKMT2AALDH1A1
SCHEMBL27936391 0.70 GAA (0.42) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL438284 0.70 POLB (0.34) MAPTPOLBKMT2AMEN1KEAP1
SCHEMBL4912518 0.70 ALDH1A1 (0.53) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL435841 0.69 POLB (0.34) MAPTPOLBKMT2AMEN1KEAP1
SCHEMBL435139 0.69 POLB (0.34) MAPTPOLBKMT2AMEN1KEAP1

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 7 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-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
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 MAPT 1793/4885MITF 2136/4885POLB 2068/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 MAPT 1793/4885MITF 2136/4885POLB 2068/4885

“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.