SCHEMBL434072

SCHEMBL434072

CC1Oc2c(ccc(CS(=O)(=O)c3ccccc3)c2C(=O)O)-c2ccoc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KEAP1 Q14145 4/20 0.32
NFE2L2 Q16236 1/20 0.32
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 2/20 0.31
CYP2D6 P10635 1/20 0.30
PSIP1 O75475 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
SCHEMBL18294829 1.00 TSHR (0.32) TSHRHSD17B10KEAP1NFE2L2KMT2A
SCHEMBL435582 0.90 POLB (0.34) KEAP1NFE2L2KMT2ACYP2D6
SCHEMBL16289960 0.85 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL434903 0.82 TSHR (0.32) TSHRHSD17B10KEAP1NFE2L2KMT2A
SCHEMBL435581 0.76 TSHR (0.33) TSHRHSD17B10CYP2D6
SCHEMBL433854 0.74 HSD17B10 (0.33) TSHRHSD17B10CYP2D6
SCHEMBL14937176 0.74 METAP2 (0.47)
SCHEMBL10284427 0.74 METAP2 (0.47)
SCHEMBL14937595 0.73 MAPT (0.36) TSHRHSD17B10KMT2AHSD11B1PSIP1
SCHEMBL14937535 0.70

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 15 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-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

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 328/4885KEAP1 1843/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 TSHR 2522/4885HSD17B10 328/4885KEAP1 1843/4885

“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.