SCHEMBL8746178

SCHEMBL8746178

COc1ccc(CSC(C)(C)CC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.42
LDHA P00338 1/20 0.42
EPHX1 P07099 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2RL1 P55085 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL8746111 0.88 LDHA (0.46) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8746134 0.86 IDO1 (0.44) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16690673 0.86 TP53 (0.48) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8746191 0.85 HTT (0.55) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL20435394 0.84 HTT (0.44) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL8746120 0.82 CA1 (0.46) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL9973241 0.82 IDO1 (0.44) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL20425139 0.82 ALDH1A1 (0.46) IDO1MEN1KMT2ALDHAEPHX1
SCHEMBL25018885 0.81 HTT (0.48) IDO1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL20425141 0.80 ALDH1A1 (0.39) IDO1MEN1KMT2ASMN1; SMN2HTT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155258-B1 IMPROVED PROCESSES FOR MAKING HYDRAZIDES WYETH LLC (US) 2017-08-16 EP disclosed
US-9493485-B2 Spirocyclic dihydro-thiazine and dihydro-oxazine BACE inhibitors, and compositions and uses thereof IMAGO PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20160272654-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF IMAGO PHARMACEUTICALS, INC. (US) 2016-09-22 US disclosed
US-9227924-B2 Processes for making hydrazides WYETH LLC (US) 2016-01-05 US disclosed
US-20150307518-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF ELAN PHARMACEUTICALS, INC. 2015-10-29 US disclosed
US-20150099865-A1 PROCESSES FOR MAKING HYDRAZIDES WYETH LLC (US) 2015-04-09 US disclosed
US-20150087825-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF XU YING-ZI (US) 2015-03-26 US disclosed
US-20150087826-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF XU YING-ZI (US) 2015-03-26 US disclosed
US-8853451-B2 Processes for making hydrazides WYETH LLC (US) 2014-10-07 US disclosed
US-20130211053-A1 PROCESSES FOR MAKING HYDRAZIDES WYETH LLC (US) 2013-08-15 US disclosed
US-8383857-B2 Processes for making hydrazides WYETH LLC (US) 2013-02-26 US disclosed
US-20120130052-A1 PROCESSES FOR MAKING HYDRAZIDES WYETH LLC (US) 2012-05-24 US disclosed
US-8110705-B2 Processes for making hydrazides WYETH LLC (US) 2012-02-07 US disclosed
US-20080312422-A1 PROCESSES FOR MAKING HYDRAZIDES WYETH (US) 2008-12-18 US 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 (8 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-20080312422-A1 PROCESSES FOR MAKING HYDRAZIDES CALU, CALD1, ACR IDO1 4053/4885MEN1 2514/4885KMT2A 1111/4885
US-20120130052-A1 PROCESSES FOR MAKING HYDRAZIDES CALU, CALD1, ACR IDO1 4053/4885MEN1 2514/4885KMT2A 1111/4885
US-20130211053-A1 PROCESSES FOR MAKING HYDRAZIDES CALU, CALD1, ACR IDO1 4053/4885MEN1 2514/4885KMT2A 1111/4885
US-20150099865-A1 PROCESSES FOR MAKING HYDRAZIDES CALU, CALD1, ACR IDO1 4053/4885MEN1 2514/4885KMT2A 1111/4885
US-20150087826-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP IDO1 1554/4885MEN1 1250/4885KMT2A 3689/4885
US-20150087825-A1 SPIROCYCLIC DIGYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP IDO1 1554/4885MEN1 1250/4885KMT2A 3689/4885
US-20160272654-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP IDO1 2069/4885MEN1 1308/4885KMT2A 3352/4885
US-20150307518-A1 SPIROCYCLIC DIHYDRO-THIAZINE AND DIHYDRO-OXAZINE BACE INHIBITORS, AND COMPOSITIONS AND USES THEREOF BACE1, BACE2, APP IDO1 2069/4885MEN1 1308/4885KMT2A 3352/4885

“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.