SCHEMBL1764978

SCHEMBL1764978

CCOC(=O)C(=O)C=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.45
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.42
CES2 O00748 1/20 0.41
HPGD P15428 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
XPO1 O14980 2/20 0.36
TACR1 P25103 1/20 0.36
PTPN1 P18031 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL12596981 0.99 GPR35 (0.46) GPR35ALDH1A1NPSR1CES2HPGD
SCHEMBL1764991 0.92 GPR35 (0.41) GPR35ALDH1A1NPSR1CES2HPGD
SCHEMBL12596973 0.91 GPR35 (0.42) GPR35ALDH1A1NPSR1CES2HPGD
SCHEMBL1764931 0.87 CES2 (0.47) ALDH1A1NPSR1CES2HPGDMAPT
SCHEMBL2192685 0.87 CES2 (0.47) ALDH1A1NPSR1CES2HPGDMAPT
SCHEMBL12418106 0.85 CES2 (0.48) ALDH1A1NPSR1CES2HPGDMAPT
SCHEMBL13815769 0.85 CES2 (0.48) ALDH1A1NPSR1CES2HPGDMAPT
Lithium Ion SCHEMBL1764975 0.82 GPR35 (0.44) GPR35ALDH1A1NPSR1CES2HPGD
Lithium Ion SCHEMBL1764974 0.82 GPR35 (0.44) GPR35ALDH1A1NPSR1CES2HPGD
SCHEMBL1765010 0.81 MAPT (0.42) ALDH1A1NPSR1CES2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254885-B1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO KG (DE) 2013-12-04 EP disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO GPR35 2122/4885ALDH1A1 898/4885NPSR1 4477/4885

“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.