SCHEMBL1765536

SCHEMBL1765536

CCOC(=O)C(=O)C=C(O)c1ccc(F)c(C(F)(F)F)c1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KCNN4 O15554 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
VNN1 O95497 3/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PTPN1 P18031 1/20 0.37
EPHX2 P34913 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AR P10275 1/20 0.35
ACHE P22303 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
SCHEMBL12596947 0.99 KDM4E (0.42) KDM4EALDH1A1MAPTKCNN4TAS1R3
SCHEMBL16876854 0.90 KIF11 (0.42) KDM4EALDH1A1MAPTPPARDPPARA
SCHEMBL1765078 0.86 MAPT (0.46) KDM4EALDH1A1MAPTPTPN1NPSR1
SCHEMBL30051010 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MAPTPTPN1NPSR1
SCHEMBL12596961 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MAPTPTPN1NPSR1
Lithium Ion SCHEMBL1765534 0.84 KCNN4 (0.39) ALDH1A1MAPTKCNN4TAS1R3TAS1R1
Lithium Ion SCHEMBL1765532 0.84 KCNN4 (0.39) ALDH1A1MAPTKCNN4TAS1R3TAS1R1
SCHEMBL1765036 0.82 MAPT (0.43) KDM4EALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL1764891 0.82 MAPT (0.43) KDM4EALDH1A1MAPTPTPN1NPSR1
SCHEMBL5016808 0.81 EPHX2 (0.41) ALDH1A1KCNN4TAS1R3TAS1R1TAS1R2

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 KDM4E 1170/4885ALDH1A1 898/4885MAPT 2876/4885

“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.