SCHEMBL1044062

SCHEMBL1044062

Cc1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PTGES2 Q9H7Z7 1/20 0.49
▸ SLC13A5 Q86YT5 1/20 0.47
▸ PTPN5 P54829 1/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ DHODH Q02127 3/20 0.46
▸ GPR3 P46089 1/20 0.45
▸ ALKBH3 Q96Q83 1/20 0.44
▸ SLC6A7 Q99884 1/20 0.44
▸ XDH P47989 1/20 0.43
▸ GALR1 P47211 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ MME P08473 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ CETP P11597 1/20 0.42

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
SCHEMBL5542229 0.87 PTGES2 (0.50) PTGES2PTPN5KCNH2SCN10ADHODH
SCHEMBL5840598 0.85 SLC13A5 (0.51) PTGES2SLC13A5KCNH2SCN10ADHODH
SCHEMBL30996181 0.84 ABL1 (0.61) CYP1A2CYP2C19SLC13A5KCNH2SCN10A
SCHEMBL13761669 0.83 TRPV1 (0.50) PTGES2SLC13A5PTPN5KCNH2SCN10A
SCHEMBL17810048 0.83 SLC13A5 (0.54) SLC13A5KCNH2SCN10ADHODHSLC6A7
SCHEMBL5544105 0.82 SCN5A (0.48) PTPN5SCN10AGPR3
SCHEMBL1337217 0.82 TAAR1 (0.52) PTGES2SLC13A5KCNH2SCN10ADHODH
SCHEMBL5544749 0.82 SLC13A5 (0.47) PTGES2SLC13A5KCNH2SCN10ADHODH
SCHEMBL5379608 0.82 ESR1 (0.55) SLC13A5DHODHSLC6A7XDHGALR1
SCHEMBL13778702 0.81 PTPN5 (0.50) SLC13A5PTPN5KCNH2SCN10ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 — — US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 — — US disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 — — WO disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 — — EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 — — WO disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — US disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 — — WO disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 — — EP disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 — — US disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 — — US disclosed
EP-1339684-B1 MCH ANTAGONISTS AND THEIR USE IN THE TREATMENT OF OBESITY SCHERING CORP (US) 2009-11-04 — — EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-7256206-B2 1-[4-(3-Amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-ethanone-O-biphenyl-4-ylmethyl-oxime, used as modulators of lipid activated G-protein coupled receptors specific for sphingosine-1-phosphate; prevention of autoimmune diseases or as angiogenesis inhibitors IRM LLC (BM) 2007-08-14 — — US disclosed
US-7256206-B2 1-[4-(3-Amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-ethanone-O-biphenyl-4-ylmethyl-oxime, used as modulators of lipid activated G-protein coupled receptors specific for sphingosine-1-phosphate; prevention of autoimmune diseases or as angiogenesis inhibitors IRM LLC (BM) 2007-08-14 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP 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 (7 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP1A2 3506/4885MAPT 3833/4885CYP2C19 3069/4885
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 135/4885MAPT 1855/4885CYP2C19 127/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP1A2 659/4885MAPT 4117/4885CYP2C19 2521/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 135/4885MAPT 1855/4885CYP2C19 127/4885
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN CYP1A2 1584/4885MAPT 826/4885CYP2C19 1196/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP1A2 3506/4885MAPT 3833/4885CYP2C19 3069/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 CYP1A2 1161/4885MAPT 1571/4885CYP2C19 368/4885

“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.

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