SCHEMBL1160698

SCHEMBL1160698

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.40
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABCB1 P08183 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
PTPN1 P18031 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL12596927 0.99 XPO1 (0.41) XPO1MAPTALDH1A1KDM4EMEN1
SCHEMBL1765010 0.90 MAPT (0.42) XPO1MAPTALDH1A1KDM4EMEN1
SCHEMBL12596939 0.89 MAPT (0.43) XPO1MAPTALDH1A1KDM4EMEN1
SCHEMBL1764997 0.86 MAPT (0.42) XPO1MAPTALDH1A1KDM4EMEN1
SCHEMBL1765053 0.85 GPR35 (0.39) XPO1MAPTALDH1A1KDM4EMEN1
SCHEMBL14788404 0.85 XPO1 (0.47) XPO1MAPTALDH1A1MEN1LMNA
SCHEMBL12596984 0.85 MAPT (0.43) XPO1MAPTALDH1A1KDM4EMEN1
SCHEMBL12596979 0.84 GPR35 (0.40) XPO1MAPTALDH1A1KDM4EMEN1
Lithium Ion SCHEMBL1526231 0.83 XPO1 (0.39) XPO1MAPTALDH1A1KDM4EMEN1
Lithium Ion SCHEMBL1160697 0.83 XPO1 (0.39) XPO1MAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296720-B2 Carboxamide-substituted heteroaryl-pyrazoles and the use thereof AICURIS GMBH & CO. KG (DE) 2016-03-29 US disclosed
US-9249148-B2 Tris(hetero)arylpyrazoles and use thereof AICURIS GMBH & CO. KG (DE) 2016-02-02 US disclosed
US-20150203500-A1 TRIS(HETERO)ARYLPYRAZOLES AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-07-23 US disclosed
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 US disclosed
EP-2785705-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AiCuris GmbH & Co. KG (DE) 2014-10-08 EP disclosed
EP-2254885-B1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO KG (DE) 2013-12-04 EP disclosed
WO-2013079586-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2013-06-06 WO disclosed
EP-2295038-B1 Solid dispersion comprising an anti-HIV agent AICURIS GMBH & CO KG (DE) 2013-05-29 EP disclosed
US-20130072531-A1 SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT AICURIS GMBH & CO. KG (DE) 2013-03-21 US 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
WO-2011029909-A1 SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT AICURIS GMBH & CO. KG (DE) 2011-03-17 WO disclosed
EP-2295038-A1 Solid dispersion comprising an anti-HIV agent AiCuris GmbH & Co. KG (DE) 2011-03-16 EP disclosed
WO-2011012630-A1 SUBSTITUTED BIS-ARYL PYRAZOLE AMIDES HAVING TERMINAL PRIMARY AMIDE FUNCTIONALIZATION FOR TREATING RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2011-02-03 WO 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 (4 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 XPO1 1005/4885MAPT 2876/4885ALDH1A1 898/4885
US-20130072531-A1 SOLID DISPERSION COMPRISING AN ANTI-HIV AGENT SORD, SUDS3, SUPT16H XPO1 1388/4885MAPT 58/4885ALDH1A1 2262/4885
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF PAICS, AADAC, TPMT XPO1 2231/4885MAPT 3290/4885ALDH1A1 1042/4885
US-20150203500-A1 TRIS(HETERO)ARYLPYRAZOLES AND USE THEREOF TPMT, AHR, PAICS XPO1 1859/4885MAPT 1204/4885ALDH1A1 1995/4885

“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.