SCHEMBL17048348

SCHEMBL17048348

COC(=O)/C=C/C(=O)OCC(O)COC(=O)/C=C/C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
GFPT1 Q06210 1/20 0.41
ATM Q13315 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
JAK2 O60674 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17048350 1.00 HCAR2 (0.56) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL19757343 0.91 TSHR (0.53) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL16994445 0.90 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL17048270 0.90 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL16687847 0.90 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL17048229 0.90 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL17048417 0.90 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL18356872 0.89 HCAR2 (0.45) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL13750030 0.88 HCAR2 (0.43) HCAR2KEAP1NFE2L2GFPT1ATM
SCHEMBL19757344 0.86 TSHR (0.49) HCAR2KEAP1NFE2L2GFPT1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110789-B1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2019-05-22 EP disclosed
EP-3110789-B1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2019-05-22 EP disclosed
US-9796659-B2 Derivatives of polyhydroxy compounds RATIOPHARM GMBH (DE) 2017-10-24 US disclosed
US-9796659-B2 Derivatives of polyhydroxy compounds RATIOPHARM GMBH (DE) 2017-10-24 US disclosed
US-9796659-B2 Derivatives of polyhydroxy compounds RATIOPHARM GMBH (DE) 2017-10-24 US disclosed
US-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2017-01-05 US disclosed
US-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2017-01-05 US disclosed
US-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2017-01-05 US disclosed
EP-3110789-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS ratiopharm GmbH (DE) 2017-01-04 EP disclosed
WO-2015128488-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2015-09-03 WO disclosed
WO-2015128488-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS RATIOPHARM GMBH (DE) 2015-09-03 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 (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-20170001945-A1 DERIVATIVES OF POLYHYDROXY COMPOUNDS TPMT, FH, FAH HCAR2 11/4885KEAP1 588/4885NFE2L2 423/4885

“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.