SCHEMBL7721965

SCHEMBL7721965

CCOC(=O)CNC(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
HTT P42858 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PPID Q08752 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13774331 1.00 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL27816766 0.98 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19236955 0.86 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10124278 0.86 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3840221 0.86 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2039271 0.84 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10184338 0.84 KDM4E (0.44) GAAALDH1A1HTTCYP2D6CYP2C9
SCHEMBL10184357 0.83 HTT (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13774329 0.83 HTT (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL452234 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950805-A Fluorouracil prodrug with low cytotoxicity as well as preparation method and application thereof 黑龙江福和制药集团股份有限公司 2020-04-03 CN disclosed
US-9316911-B2 Actinic-ray- or radiation-sensitive resin composition, actinic-ray- or radiation-sensitive film therefrom and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2016-04-19 US disclosed
US-9316911-B2 Actinic-ray- or radiation-sensitive resin composition, actinic-ray- or radiation-sensitive film therefrom and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2016-04-19 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
CN-101891669-B 3-substituted cyclopropane carbonyl pyrrolidine-2,4-diketone and herbicidal activity thereof UNIV NANKAI 2013-03-27 CN disclosed
US-20130004741-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed
US-20130004741-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 US disclosed
CN-101891669-A 3-substituted cyclopropane carbonyl pyrrolidine-2,4-diketone and herbicidal activity thereof UNIV NANKAI 2010-11-24 CN disclosed
CN-100486965-C 3-acyl-pyrrolidine-2,4-diketo compound and herbicidal activity UNIV NANKAI (CN) 2009-05-13 CN disclosed
CN-1676515-A 3-acyl-pyrrolidine-2,4-diketo compound and herbicidal activity UNIV NANKAI (CN) 2005-10-05 CN disclosed
WO-2002081413-A2 ONE DIMENSIONAL UNICHEMO PROTECTION (UCP) IN ORGANIC SYNTHESIS CARLSBERG A/S (DK) 2002-10-17 WO disclosed
US-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis CARLSBERG A/S (DK) 2002-10-10 US disclosed
US-4421693-A INSECTICIDES, MITICIDES OR NEMATOCIDES OTSUKA CHEMICAL CO., LTD. (JP) 1983-12-20 US disclosed
US-4413005-A 2,3-DIHYDRO-2,2-DIMETHYLBENZOFURAN-7-YL DERIVATIVES OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1983-11-01 US disclosed
US-3968214-A 5-Methylthio-pyrimidine vasodilators PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-07-06 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 (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-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA GAA 1129/4885MGAM 450/4885SI 556/4885
US-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis UMPS, UROD, URB2 GAA 3620/4885MGAM 3320/4885SI 2684/4885

“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.