SCHEMBL1044872

SCHEMBL1044872

Cc1ccc(-c2cccc(OC(F)(F)F)c2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
SCN9A Q15858 6/20 0.42
S1PR1 P21453 5/20 0.40
ENPP1 P22413 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TRPA1 O75762 1/20 0.39
CASR P41180 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL11423471 0.87 ENPP1 (0.42) HSD11B1SCN9AENPP1L3MBTL1MAPT
SCHEMBL27660143 0.85 KDM4E (0.46) HSD11B1SCN9AL3MBTL1KDM4EMAPT
SCHEMBL1045874 0.84 FFAR4 (0.51) HSD11B1SCN9AS1PR1L3MBTL1FFAR4
SCHEMBL19121718 0.79 HSD11B1 (0.40) HSD11B1SCN9AS1PR1L3MBTL1KDM4E
SCHEMBL1043306 0.78 GRIA1 (0.41) HSD11B1SCN9AS1PR1ENPP1TRPA1
SCHEMBL15037483 0.73 GPR3 (0.46) SCN9AS1PR1FFAR4TRPA1
SCHEMBL29788132 0.71 FFAR4 (0.55) HSD11B1SCN9AL3MBTL1KDM4EMAPT
SCHEMBL306822 0.71 FFAR4 (0.55) HSD11B1SCN9AL3MBTL1KDM4EMAPT
SCHEMBL27784743 0.71 MPL (0.40) HSD11B1SCN9AS1PR1FFAR4TRPA1
SCHEMBL7701143 0.70 ALDH1A1 (0.50) HSD11B1SCN9AS1PR1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101277740-B Antituberculous composition comprising azole compound OTSUKA PHARMA CO LTD 2012-12-05 CN disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 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 (2 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 HSD11B1 312/4885SCN9A 4350/4885S1PR1 2791/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HSD11B1 312/4885SCN9A 4350/4885S1PR1 2791/4885

“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.