SCHEMBL1045874

SCHEMBL1045874

Cc1ccc(-c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.51
SCN9A Q15858 6/20 0.50
TRPA1 O75762 1/20 0.50
HSD11B1 P28845 1/20 0.49
S1PR1 P21453 4/20 0.48
SYK P43405 1/20 0.47
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
RORC P51449 1/20 0.44
KCNN4 O15554 1/20 0.43

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
SCHEMBL29788132 0.86 FFAR4 (0.55) FFAR4SCN9ATRPA1HSD11B1ALDH1A1
SCHEMBL306822 0.86 FFAR4 (0.55) FFAR4SCN9ATRPA1HSD11B1ALDH1A1
SCHEMBL1044872 0.84 HSD11B1 (0.43) FFAR4SCN9ATRPA1HSD11B1S1PR1
SCHEMBL2095253 0.83 FFAR4 (0.50) FFAR4SCN9ATRPA1HSD11B1S1PR1
SCHEMBL14744155 0.83 NCOA1 (0.51) FFAR4SCN9ATRPA1S1PR1ALOX5AP
SCHEMBL15037483 0.83 GPR3 (0.46) FFAR4SCN9ATRPA1S1PR1ALOX5AP
SCHEMBL12570859 0.82 FFAR4 (0.47) FFAR4SCN9ATRPA1HSD11B1S1PR1
SCHEMBL27900206 0.82 FFAR4 (0.47) FFAR4SCN9ATRPA1HSD11B1S1PR1
SCHEMBL7701143 0.81 ALDH1A1 (0.50) FFAR4SCN9ATRPA1HSD11B1S1PR1
SCHEMBL1043306 0.81 GRIA1 (0.41) SCN9ATRPA1HSD11B1S1PR1

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 12 patents. 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
WO-2020047487-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS AND STATINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-05 WO disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 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 (5 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FFAR4 1480/4885SCN9A 4350/4885TRPA1 3167/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 FFAR4 338/4885SCN9A 3612/4885TRPA1 3038/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FFAR4 1480/4885SCN9A 4350/4885TRPA1 3167/4885
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN FFAR4 1520/4885SCN9A 418/4885TRPA1 1791/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 FFAR4 2899/4885SCN9A 129/4885TRPA1 280/4885

“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.