SCHEMBL435850

SCHEMBL435850

CC(C)(C)OC(=O)c1c(NC(=O)OCc2ccccc2)ccc2c1oc(=O)c1occc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOA P21397 1/20 0.41
SYK P43405 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
KCNA2 P16389 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNA1 Q09470 1/20 0.36
TACR3 P29371 1/20 0.36
ELANE P08246 3/20 0.36
KCNA3 P22001 1/20 0.36
ROCK2 O75116 1/20 0.35
F10 P00742 1/20 0.35
CTRC Q99895 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL436707 0.87 MAOB (0.48) MAOBNPC1RAB9AMAOAFAAH
SCHEMBL438338 0.74 NPC1 (0.44) MAOBNPC1RAB9AMAOASYK
SCHEMBL13737363 0.73 NPC1 (0.49) MAOBNPC1RAB9ASYKMGLL
SCHEMBL436706 0.73 NPC1 (0.40) MAOBNPC1RAB9AMAOASYK
SCHEMBL436654 0.69 NPC1 (0.42) MAOBNPC1RAB9ASYKFAAH
SCHEMBL8889937 0.67 NPC1 (0.45) MAOBNPC1RAB9ASYKMAPT
SCHEMBL2409894 0.66 RAB9A (0.59) MAOBNPC1RAB9AMAOASYK
SCHEMBL7951856 0.66 SYK (0.60) NPC1RAB9ASYKMAPTPOLB
SCHEMBL12272017 0.66 NPC1 (0.50) NPC1RAB9ASYKMGLLMAPT
SCHEMBL8894133 0.66 NPC1 (0.53) MAOBNPC1RAB9ASYKMAPT

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 MAOB 175/4885NPC1 756/4885RAB9A 4164/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 MAOB 175/4885NPC1 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.