SCHEMBL5544710

SCHEMBL5544710

O=COCc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
KMT2A Q03164 1/20 0.46
FFAR4 Q5NUL3 8/20 0.44
FFAR1 O14842 8/20 0.44
TACR1 P25103 1/20 0.43
FOLH1 Q04609 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
FABP7 O15540 1/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL28257363 0.94 DPP4 (0.42) DPP4KMT2AFFAR4FFAR1TACR1
SCHEMBL28119035 0.82 MAOA (0.42) DPP4FFAR4FFAR1PTGER1PTGER4
SCHEMBL5542038 0.81 DPP4 (0.46) DPP4KMT2AFFAR4FFAR1FOLH1
SCHEMBL11406620 0.81 SRC (0.40) KMT2A
SCHEMBL29074270 0.81 CYP19A1 (0.45)
SCHEMBL5541869 0.79 DPP4 (0.43) DPP4KMT2AFFAR4FFAR1FOLH1
SCHEMBL27765185 0.78 PTGER4 (0.41) DPP4KMT2AFFAR4FFAR1FOLH1
Acetaldehyde SCHEMBL27895815 0.78 DPP4 (0.46) DPP4KMT2AFFAR4FFAR1TACR1
SCHEMBL5546291 0.78 DPP4 (0.42) DPP4KMT2AFFAR4FFAR1FOLH1
SCHEMBL28096773 0.77 FFAR1 (0.38) DPP4FFAR4FFAR1TACR1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813512-B Florfenicol hapten as well as preparation method and application thereof 中国农业大学 2023-11-07 CN claimed
CN-116813512-A Florfenicol hapten as well as preparation method and application thereof 中国农业大学 2023-09-29 CN claimed
CN-115968258-A Carbonated beverage, method for producing flavor composition, and method for suppressing foaming of carbonated beverage 高砂香料工业株式会社 2023-04-14 CN claimed
CN-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 CN disclosed
CN-113811287-B Low VOC multi-functional additives for improving waterborne polymer film properties 朗盛公司 2023-11-17 CN disclosed
CN-116813512-B Florfenicol hapten as well as preparation method and application thereof 中国农业大学 2023-11-07 CN disclosed
CN-116813512-A Florfenicol hapten as well as preparation method and application thereof 中国农业大学 2023-09-29 CN disclosed
CN-110304989-A A kind of synthesis technology of 9,9- dialkyl fluorene derivative 安徽秀朗新材料科技有限公司 2019-10-08 CN disclosed
CN-109715615-A Biaryl methyl heterocycles 蒙特利尔大学 2019-05-03 CN disclosed
CN-105330541-B The synthetic method of the alkyl formate of 4 ' halogenated methyl biphenyl 2 常州博世伟业生物科技有限公司 2017-09-12 CN disclosed
CN-103370307-B Sulfonamide compounds and preparation method thereof and using method ZAFGEN CORP. (US) 2016-05-25 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1261419-C Substituted 3-phenyl-5-alkoxi-1,3,4-oxdiazol-2-one and use thereof for inhibiting hormone-sensitive lipase AVENTIS PHARMA DENTSCHLAND GMD (DE) 2006-06-28 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
CN-1416424-A Substituted 3-phenyl-5-alkoxi-1,3,4-oxdiazol-2-one and use thereof for inhibiting hormone-sensitive lipase AVENTIS PHARMA DENTSCHLAND GMD (DE) 2003-05-07 CN 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 DPP4 3965/4885KMT2A 4267/4885FFAR4 338/4885

“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.