SCHEMBL360819

SCHEMBL360819

O=C(O)COCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
GRM5 P41594 2/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MAOB P27338 2/20 0.45
PARP10 Q53GL7 1/20 0.45
FFAR1 O14842 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42
PKM P14618 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
CTBP2 P56545 1/20 0.42

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
SCHEMBL5040591 0.83 CA2 (0.56) IDO1ALDH1A1
SCHEMBL5279148 0.82 MAOB (0.51) NR4A2GRM5IDO1AGXTMAOB
SCHEMBL5282539 0.82 IDO1 (0.45) NR4A2GRM5IDO1AGXTMAOB
SCHEMBL6038136 0.82 IDO1 (0.45) NR4A2GRM5IDO1AGXTMAOB
SCHEMBL21068905 0.82 HRH3 (0.43) GRM5ALDH1A1
SCHEMBL231282 0.81 TSHR (0.61) GRM5ALDH1A1
SCHEMBL320664 0.81 FFAR4 (0.56) FFAR1ALDH1A1
SCHEMBL21068615 0.80 CES2 (0.46) GRM5FFAR1ALDH1A1
SCHEMBL16542351 0.80 HRH3 (0.42) MAOBALDH1A1
SCHEMBL13886095 0.80 RAB9A (0.51) AGXTMAOBPARP10FFAR1ALDH1A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354590-A Quinazolinone compound for antagonizing NOD1/2 receptor signal pathway 宁波康柏睿格医药科技有限公司 2021-09-07 CN disclosed
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
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
WO-2007121471-A2 DIALKYL ETHER DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-10-25 WO disclosed
US-20070219181-A1 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-09-20 US disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
US-6034106-A Oxadiazole benzenesulfonamides as selective β3 Agonist for the treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2000-03-07 US disclosed
EP-0906310-A4 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE -g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO INC (US) 1999-09-01 EP disclosed
EP-0906310-A1 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE $g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY Merck & Co., Inc. (US) 1999-04-07 EP disclosed
WO-1997046556-A1 OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1997-12-11 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 (4 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 NR4A2 1575/4885GRM5 2981/4885IDO1 1132/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NR4A2 3294/4885GRM5 2005/4885IDO1 2763/4885
US-20070219181-A1 Multi-cyclic cinnamide derivatives BACE1, APP, PSEN1 NR4A2 14/4885GRM5 1289/4885IDO1 1490/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A NR4A2 3294/4885GRM5 2005/4885IDO1 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.