SCHEMBL436086

SCHEMBL436086

COC(=O)c1ccccc1-c1c(CS(=O)(=O)c2ccccc2)ccc2c1OCc1occc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.35
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 4/20 0.32
POLB P06746 2/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
TOP2A P11388 1/20 0.32
SLC6A3 Q01959 3/20 0.31
SLC6A4 P31645 2/20 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
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SDHB P21912 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL435061 0.86 POLB (0.34) TARBP2KDM4EALDH1A1KMT2APOLB
SCHEMBL435581 0.78 TSHR (0.33) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL16289748 0.78 NPC1 (0.31) ALDH1A1
SCHEMBL436258 0.77 POLB (0.34) TARBP2KDM4EALDH1A1KMT2APOLB
SCHEMBL27917950 0.75 PARP1 (0.40) KDM4EALDH1A1KMT2APOLBMAPT
SCHEMBL436545 0.71 MAPT (0.41) KDM4EALDH1A1KMT2APOLBMITF
SCHEMBL4912518 0.69 ALDH1A1 (0.53) KDM4EALDH1A1KMT2APOLBMAPT
SCHEMBL433854 0.69 HSD17B10 (0.33) KDM4EALDH1A1POLBMAPTL3MBTL1
SCHEMBL1648198 0.69 ALDH1A1 (0.38) KDM4EALDH1A1POLBMAPTSLC6A3
SCHEMBL16289891 0.69 MAPT (0.31) KDM4EALDH1A1POLBMAPTL3MBTL1

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 TARBP2 2175/4885KDM4E 1272/4885ALDH1A1 855/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 TARBP2 2175/4885KDM4E 1272/4885ALDH1A1 855/4885

“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.