SCHEMBL1765066

SCHEMBL1765066

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.43
PTPN1 P18031 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
KAT6A Q92794 1/20 0.41
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
DDR1 Q08345 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FFAR1 O14842 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2194952 1.00 ELANE (0.43) ELANEPTPN1GPR139KAT6AMAOB
SCHEMBL13815650 0.99 ELANE (0.44) ELANEPTPN1GPR139KAT6AMAOB
SCHEMBL12418108 0.99 ELANE (0.44) ELANEPTPN1GPR139KAT6AMAOB
SCHEMBL1765510 0.85 CES2 (0.49) PTPN1MAOBKDM4EALDH1A1MAPT
Lithium Ion SCHEMBL1765064 0.85 ELANE (0.41) ELANEGPR139KAT6AMAOBTAS1R3
Lithium Ion SCHEMBL1765062 0.85 ELANE (0.41) ELANEGPR139KAT6AMAOBTAS1R3
Lithium Ion SCHEMBL1110941 0.85 ELANE (0.41) ELANEGPR139KAT6AMAOBTAS1R3
SCHEMBL12596957 0.84 CES2 (0.50) PTPN1MAOBKDM4EALDH1A1MAPT
SCHEMBL14995801 0.83 MAPT (0.37) ELANEPTPN1KDM4EALDH1A1MAPT
SCHEMBL14995831 0.83 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ELANE 141/4885PTPN1 2140/4885GPR139 4652/4885

“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.