SCHEMBL869739

SCHEMBL869739

CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
PTPN11 Q06124 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ESR1 P03372 1/20 0.46
CYP3A4 P08684 1/20 0.46
ESR2 Q92731 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CXCR2 P25025 2/20 0.42
HTT P42858 1/20 0.42
CXCR1 P25024 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL3842500 0.94 PTPN11 (0.50) NR3C2SMN1; SMN2PTPN11ESR1CYP3A4
SCHEMBL16373430 0.89 PTPN11 (0.46) NR3C2SMN1; SMN2PTPN11CA1CA2
SCHEMBL15165487 0.88 CA1 (0.47) NR3C2SMN1; SMN2PTPN11CA1CA2
SCHEMBL9567821 0.86 ESR1 (0.53) PTPN11ALDH1A1ESR1CYP3A4ESR2
SCHEMBL18343094 0.86 NR3C2 (0.49) NR3C2SMN1; SMN2ALDH1A1ESR1CYP3A4
SCHEMBL12960114 0.85 CA2 (0.47) ALDH1A1ESR2CA1CA2CA9
SCHEMBL3842511 0.85 CA2 (0.47) ALDH1A1ESR2CA1CA2CA9
SCHEMBL16394707 0.85 NR3C2 (0.51) NR3C2SMN1; SMN2ALDH1A1ESR1CYP3A4
SCHEMBL17725466 0.84 SMN1; SMN2 (0.43) NR3C2SMN1; SMN2PTPN11ALDH1A1ESR1
SCHEMBL2689080 0.84 NR3C2 (0.54) NR3C2SMN1; SMN2ALDH1A1ESR1CYP3A4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12201015-B2 Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device, and illumination device MITSUBISHI CHEMICAL CORPORATION (JP) 2025-01-14 US disclosed
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
US-20230131195-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-04-27 US disclosed
EP-3971196-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING SAID COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAID COMPOUND, DISPLAY DEVICE AND LIGHTING DEVICE Mitsubishi Chemical Corporation (JP) 2022-03-23 EP disclosed
US-11279713-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-22 US disclosed
US-20220069238-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-03 US disclosed
CN-113853381-A Iridium complex compound, composition containing iridium complex compound and solvent, organic electroluminescent element containing iridium complex compound, display device, and lighting device 三菱化学株式会社 2021-12-28 CN disclosed
WO-2020230811-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING SAID COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAID COMPOUND, DISPLAY DEVICE AND LIGHTING DEVICE 三菱ケミカル株式会社 2020-11-19 WO disclosed
WO-2020230811-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING SAID COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAID COMPOUND, DISPLAY DEVICE AND LIGHTING DEVICE 三菱ケミカル株式会社 2020-11-19 WO disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
EP-2609071-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS Novartis AG (CH) 2013-07-03 EP disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
WO-2012025502-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS NOVARTIS AG (CH) 2012-03-01 WO disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 US disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US 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 (9 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-12201015-B2 Iridium complex compound, composition containing the compound and solvent, organic electroluminescent element containing the compound, display device, and illumination device INF2, EMC2, INTS9 NR3C2 619/4885SMN1; SMN2 2768/4885PTPN11 2215/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A NR3C2 167/4885SMN1; SMN2 2000/4885PTPN11 749/4885
US-20230131195-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ICOSLG, SOD1 NR3C2 4372/4885SMN1; SMN2 1859/4885PTPN11 2155/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A NR3C2 167/4885SMN1; SMN2 2000/4885PTPN11 749/4885
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 NR3C2 247/4885SMN1; SMN2 267/4885PTPN11 853/4885
US-11279713-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A NR3C2 167/4885SMN1; SMN2 2000/4885PTPN11 749/4885
US-20220069238-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION CONTAINING THE COMPOUND AND SOLVENT, ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE COMPOUND, DISPLAY DEVICE, AND ILLUMINATION DEVICE INF2, EMC2, INTS9 NR3C2 619/4885SMN1; SMN2 2768/4885PTPN11 2215/4885
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 NR3C2 260/4885SMN1; SMN2 2425/4885PTPN11 554/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A NR3C2 167/4885SMN1; SMN2 2000/4885PTPN11 749/4885

“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.