SCHEMBL2059403

SCHEMBL2059403

CC(C)OC(=O)C(C)O[C]=O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL3727886 0.82
SCHEMBL8917128 0.80
SCHEMBL250780 0.78
SCHEMBL629559 0.77 TSHR (0.37) TSHRHCAR2
SCHEMBL8918944 0.76 LMNA (0.39)
SCHEMBL1100387 0.74 ALDH1A1 (0.40) TSHR
SCHEMBL5872657 0.74 TSHR (0.34) TSHR
SCHEMBL7400438 0.74
SCHEMBL8982387 0.73 TSHR (0.42) TSHR
SCHEMBL3883972 0.73 CA12 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2017-09-14 US disclosed
US-7968707-B2 Reacting an amino, hydroxy substituted amide with a heterocyclic substituted carboxylic acid to produce (2S,3S,5S)-2-(2,6-Dimethylphenoxyacetyl) amino-3-hydroxy-5-[2S-1-imidazolidin-2-onyl)-3-methyl-butanoyl] amino-1,6-diphenylhexane; inhibitors of HIV infection ABBOTT LABORATORIES (US) 2011-06-28 US disclosed
US-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBVIE INC. 2008-06-12 US disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1112268-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-07-04 EP disclosed
WO-2000015633-A1 CONDENSED HETEROCYLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-23 WO disclosed
US-5637255-A OPTICALLY ACTIVE FORM, USED FOR OPTICAL OR ELECTROOPTICAL DISPLYING; HIGH TWISTING; DOPANT ROLIC AG (CH) 1997-06-10 US disclosed
US-5360577-A MIXTURE OF OPTICALLY ACTIVE OXAZOLINE COMPOUND AND A LIQUID CRYSTALLINE CARRIER HOFFMANN-LA ROCHE INC. (US) 1994-11-01 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 (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-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 TSHR 4697/4885HCAR2 3888/4885
US-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS SERPINB1, PREP, DNPEP TSHR 4756/4885HCAR2 4775/4885
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO TSHR 1858/4885HCAR2 525/4885

“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.