SCHEMBL435581

SCHEMBL435581

O=C(O)c1c(CS(=O)(=O)c2ccccc2)ccc2c1OCc1occc1-2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2D6 P10635 2/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL433854 0.89 HSD17B10 (0.33) TSHRHSD17B10CYP2D6ALDH1A1NPC1
SCHEMBL435061 0.89 POLB (0.34) ALDH1A1KDM4EPOLB
SCHEMBL16289748 0.84 NPC1 (0.31) ALDH1A1NPC1RAB9A
SCHEMBL436258 0.79 POLB (0.34) HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL436086 0.78 TARBP2 (0.35) TSHRHSD17B10ALDH1A1KDM4EL3MBTL1
SCHEMBL18294829 0.76 TSHR (0.32) TSHRHSD17B10CYP2D6
SCHEMBL434072 0.76 TSHR (0.32) TSHRHSD17B10CYP2D6
SCHEMBL16289891 0.74 MAPT (0.31) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL14937558 0.72 AKR1B1 (0.39) TSHRHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL14937395 0.71 TSHR (0.33) TSHRHSD17B10

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 20 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 claimed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US claimed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US claimed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP claimed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US claimed
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-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 TSHR 2522/4885HSD17B10 328/4885CYP2D6 444/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 TSHR 2522/4885HSD17B10 328/4885CYP2D6 444/4885

“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.