SCHEMBL436706

SCHEMBL436706

CC(C)(C)OC(=O)c1c(NC(=O)OCc2ccccc2)ccc(-c2ccoc2C=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.37
MAOB P27338 1/20 0.36
CASP3 P42574 2/20 0.35
MAOA P21397 1/20 0.34
F10 P00742 1/20 0.34
ELANE P08246 3/20 0.34
PTPN1 P18031 1/20 0.34
BACE1 P56817 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
FAAH O00519 1/20 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
SCHEMBL14937516 0.88 NPC1 (0.43) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL438338 0.87 NPC1 (0.44) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL436654 0.80 NPC1 (0.42) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL13737363 0.78 NPC1 (0.49) NPC1RAB9APOLBSMN1; SMN2SYK
SCHEMBL27936388 0.74 CRHBP (0.37) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL434818 0.74 KDM4E (0.35) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL435749 0.73 ELANE (0.34) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL435850 0.73 MAOB (0.43) NPC1RAB9AMAPTPOLBSYK
SCHEMBL15668001 0.68 ATR (0.35) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8889937 0.66 NPC1 (0.45) NPC1RAB9AMAPTPOLBSMN1; SMN2

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 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 NPC1 756/4885RAB9A 4164/4885MAPT 1793/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 NPC1 756/4885RAB9A 4164/4885MAPT 1793/4885

“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.