SCHEMBL8027367

SCHEMBL8027367

OCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
KIF11 P52732 2/20 0.47
SERPINE1 P05121 1/20 0.46
AURKA O14965 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
EPHX2 P34913 2/20 0.45
FAAH O00519 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 1/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GRM2 Q14416 1/20 0.43
MAPT P10636 1/20 0.43
PTGER4 P35408 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 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
SCHEMBL963834 0.94 PPARG (0.53) PPARAPPARGEPHX2FAAHLTA4H
SCHEMBL1747062 0.88 LTA4H (0.59) PPARAPPARGEPHX2FAAHLTA4H
SCHEMBL508667 0.88 SLC6A4 (0.49) PPARAPPARGEPHX2FAAHLTA4H
SCHEMBL22621116 0.83 SLC6A4 (0.51) PPARAKIF11SERPINE1AURKATPX2
SCHEMBL507848 0.83 PPARG (0.45) PPARAPPARGEPHX2FAAHLTA4H
SCHEMBL22816220 0.83 ACACB (0.45) PPARAPPARGKIF11SERPINE1AURKA
SCHEMBL507847 0.83 PPARG (0.45) PPARAPPARGEPHX2FAAHLTA4H
SCHEMBL5452795 0.83 MAPT (0.51) PPARAPPARGEPHX2FAAHALDH1A1
SCHEMBL2056279 0.82 TSHR (0.53) PPARAKIF11SERPINE1AURKATPX2
SCHEMBL9425434 0.82 TSHR (0.53) PPARAKIF11SERPINE1AURKATPX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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 (1 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 PPARA 660/4885PPARG 603/4885KIF11 3641/4885

“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.