SCHEMBL1764931

SCHEMBL1764931

CCOC(=O)C(=O)C=C(O)c1cccc(C(F)(F)F)c1.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
XPO1 O14980 1/20 0.44
SRD5A2 P31213 1/20 0.44
PTPN1 P18031 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL2192685 1.00 CES2 (0.47) CES2ALDH1A1POLBNPSR1HPGD
SCHEMBL13815769 0.99 CES2 (0.48) CES2ALDH1A1POLBNPSR1HPGD
SCHEMBL12418106 0.99 CES2 (0.48) CES2ALDH1A1POLBNPSR1HPGD
SCHEMBL1764978 0.87 GPR35 (0.45) CES2ALDH1A1POLBNPSR1HPGD
SCHEMBL12596981 0.85 GPR35 (0.46) CES2ALDH1A1POLBNPSR1HPGD
Lithium Ion SCHEMBL2192684 0.84 CES2 (0.46) CES2ALDH1A1POLBNPSR1HPGD
Lithium Ion SCHEMBL1764926 0.84 CES2 (0.46) CES2ALDH1A1POLBNPSR1HPGD
Lithium Ion SCHEMBL1764930 0.84 CES2 (0.46) CES2ALDH1A1POLBNPSR1HPGD
SCHEMBL1765468 0.83 LMNA (0.49) CES2ALDH1A1POLBNPSR1HPGD
SCHEMBL1765066 0.83 ELANE (0.43) ALDH1A1POLBPTPN1TAS1R3TAS1R1

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 CES2 771/4885ALDH1A1 898/4885POLB 241/4885

“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.