SCHEMBL436087

SCHEMBL436087

Cc1coc2c1-c1ccc(CS(=O)(=O)c3ccccc3)c(-c3ccccc3C(=O)O)c1OC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.30
METAP2 P50579 1/20 0.30
HSD11B1 P28845 1/20 0.30
MCL1 Q07820 1/20 0.30
TP53 P04637 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
SCHEMBL436086 0.76 TARBP2 (0.35) TDP1MAPTTSHRPOLB
SCHEMBL18279532 0.68 MCL1 (0.43) POLBMETAP2MCL1
SCHEMBL435581 0.68 TSHR (0.33) NPC1RAB9ATDP1TSHRPOLB
SCHEMBL434903 0.65 TSHR (0.32) NPC1RAB9ATDP1TSHRHSD11B1
SCHEMBL434902 0.65 NPC1 (0.33) MYCNPC1RAB9ATDP1MAPT
SCHEMBL435061 0.64 POLB (0.34) SMN1; SMN2POLB
SCHEMBL16289748 0.63 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL436709 0.63 PARP1 (0.40) MYCNPC1RAB9AMAPT
SCHEMBL436931 0.63 KMT2A (0.35) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL1648984 0.61 MAPT (0.42) MAPTTSHRSMN1; SMN2POLBMETAP2

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 MYC 3563/4885NPC1 756/4885RAB9A 4164/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 MYC 3563/4885NPC1 756/4885RAB9A 4164/4885

“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.