SCHEMBL360528

SCHEMBL360528

O=C(O)COCc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.55
HCAR2 Q8TDS4 2/20 0.55
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
MAOB P27338 6/20 0.50
PARP10 Q53GL7 1/20 0.50
FFAR1 O14842 2/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
MAOA P21397 1/20 0.47
PPARA Q07869 1/20 0.46

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
SCHEMBL28680774 0.84 NR4A2 (0.56) NR4A2HCAR2IDO1AGXTMAOB
SCHEMBL1623271 0.83 FFAR1 (0.49) NR4A2HCAR2FFAR1
SCHEMBL5038094 0.82 CTBP2 (0.47) IDO1FFAR1
SCHEMBL2343054 0.82 IDO1 (0.47) IDO1MAOBMMP1MMP2MMP9
SCHEMBL28344411 0.81 IDO1 (0.69) NR4A2HCAR2IDO1AGXTMAOB
SCHEMBL7646959 0.81 MEN1 (0.54) NR4A2HCAR2PPARA
SCHEMBL3254928 0.80 MAOB (0.51) NR4A2HCAR2IDO1AGXTMAOB
SCHEMBL15152717 0.79 THRA (0.51) MAOBFFAR1MAOA
SCHEMBL21657315 0.79 FFAR4 (0.44) FFAR1PPARA
SCHEMBL4217267 0.79 HCAR2 (0.55) HCAR2IDO1AGXTMAOBPARP10

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
CN-106831614-B Substituted benzodiazacyclo compound and its preparation method and use 清华大学 2020-07-28 CN disclosed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
EP-2007372-B1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECH INC (US) 2015-03-04 EP disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2009-04-09 US disclosed
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2009-04-09 US disclosed
WO-2007121471-A2 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-10-25 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 (3 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NR4A2 3294/4885HCAR2 3272/4885IDO1 2763/4885
US-20090092580-A1 DIALKYL ETHER DELIVERY AGENTS LIPA, SLC10A1, ABCB11 NR4A2 1464/4885HCAR2 2746/4885IDO1 4303/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NR4A2 3294/4885HCAR2 3272/4885IDO1 2763/4885

“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.