SCHEMBL436676

SCHEMBL436676

CC(C)(C)OC(=O)c1c(N)ccc(Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.40
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 2/20 0.34
HIF1A Q16665 2/20 0.34
THRB P10828 1/20 0.34
CISD2 Q8N5K1 1/20 0.33
AAK1 Q2M2I8 3/20 0.33

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
SCHEMBL31617846 0.82 CYP2C9 (0.40) GRM6MAPTMEN1KMT2AGAA
SCHEMBL436675 0.81 CA12 (0.46) GRM6MAPTMEN1KMT2AGAA
SCHEMBL18857935 0.81 DPP4 (0.38) GRM6MAPTMEN1KMT2AGAA
SCHEMBL15867204 0.81 CA12 (0.35) GRM6MAPTMEN1KMT2AGAA
SCHEMBL23413844 0.78 NR1H2 (0.45) GRM6MAPTMEN1KMT2AGAA
SCHEMBL31617785 0.77 NR1H2 (0.41) GRM6MAPTMEN1KMT2AGAA
SCHEMBL6234124 0.77 CA12 (0.40) GRM6MAPTMEN1KMT2AGAA
SCHEMBL2730411 0.75 GRM6 (0.49) GRM6MAPTMEN1KMT2AGAA
SCHEMBL27503211 0.75 GRM6 (0.50) GRM6MAPTMEN1KMT2AGAA
SCHEMBL18858001 0.75 GRM6 (0.38) GRM6MAPTMEN1KMT2AGAA

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 34 patents — showing the first 20. 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-9561230-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-9561230-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-9561230-B2 Aryl-substituted tricyclic sulfonamides as methionyl aminopeptidase 2 modulators ZAFGEN, INC. (US) 2017-02-07 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-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2016-09-08 US disclosed
EP-2705036-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
CN-103249735-A Tricyclic compounds and methods of making and using the same ZAFGEN CORP 2013-08-14 CN 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-2012154678-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed
WO-2012154678-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO 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 (3 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 GRM6 1259/4885MAPT 1793/4885MEN1 1228/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 GRM6 1259/4885MAPT 1793/4885MEN1 1228/4885
US-20160256469-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, METAP2, ANPEP GRM6 1735/4885MAPT 2470/4885MEN1 1780/4885

“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.