SCHEMBL191649

SCHEMBL191649

CC(C)(C)ONC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
DGAT1 O75907 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
APLNR P35414 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 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
SCHEMBL24074502 0.81 TDP1 (0.36) CA12CA14CA1CA7DGAT1
SCHEMBL18735658 0.81 L3MBTL1 (0.39) CA12CA14CA1CA7DGAT1
SCHEMBL31080044 0.81 DGAT1 (0.45) CA12CA14CA1CA7DGAT1
SCHEMBL1579422 0.80 TDP1 (0.43) CA12CA14CA1CA7DGAT1
SCHEMBL20125284 0.80 TDP1 (0.43) CA12CA14CA1CA7DGAT1
SCHEMBL18735657 0.80 DGAT1 (0.48) CA12CA14CA1CA7DGAT1
SCHEMBL13324201 0.79 DGAT1 (0.46) CA12CA14CA1CA7DGAT1
SCHEMBL487344 0.79 DGAT1 (0.46) CA12CA14CA1CA7DGAT1
SCHEMBL24191656 0.79 DGAT1 (0.41) CA12CA14CA1CA7DGAT1
SCHEMBL14182678 0.77 MEN1 (0.41) CA12CA14CA1CA7DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759595-B Method for synthesizing chiral acyclic nucleoside by asymmetric allylation reaction 河南师范大学 2023-01-20 CN claimed
CN-112759595-A Method for synthesizing chiral acyclic nucleoside by asymmetric allylation reaction 河南师范大学 2021-05-07 CN claimed
WO-2024049976-A1 N-METHYL-4-(QUINOLIN-2-YL)PYRIDIN-2-AMINE COMPOUNDS ABBVIE INC. (US) 2024-03-07 WO disclosed
CN-116438179-A Pyrazole derivatives as RET kinase inhibitors 伊莱利利公司 2023-07-14 CN disclosed
CN-112759595-B Method for synthesizing chiral acyclic nucleoside by asymmetric allylation reaction 河南师范大学 2023-01-20 CN disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
CN-112759595-A Method for synthesizing chiral acyclic nucleoside by asymmetric allylation reaction 河南师范大学 2021-05-07 CN disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-9714261-B2 Ionic liquid supported organotin reagents for the manufacturing of radiopharmaceuticals compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-25 US disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 US disclosed
WO-1997006161-A1 ANTICOCCIDIAL 8-AMINOQUINOLINE DERIVATIVES PFIZER LIMITED (GB) 1997-02-20 WO disclosed
US-5356886-A Treating herpes virus infections BEECHAM GROUP P.L.C. (GB) 1994-10-18 US disclosed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0539487-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1993-05-05 EP disclosed
US-5108994-A Synergistic with interferon; herpes virus BEECHAM GROUP P.L.C. (GB) 1992-04-28 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed
WO-1992001698-A1 ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed
EP-0399743-A1 Phosphonomethylthio-alkoseypureine derivatives, intermediate products for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU CA12 2102/4885CA14 2046/4885CA1 833/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CA12 3546/4885CA14 3893/4885CA1 1624/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 CA12 4097/4885CA14 4351/4885CA1 2275/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CA12 3546/4885CA14 3893/4885CA1 1624/4885

“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.