SCHEMBL508667

SCHEMBL508667

OCc1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
EPHX2 P34913 3/20 0.45
FAAH O00519 1/20 0.45
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN2B Q13224 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
EPHX1 P07099 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
SCHEMBL963834 0.94 PPARG (0.53) SLC6A4PPARGPPARAEPHX2FAAH
SCHEMBL2092054 0.89 SLC6A4 (0.56) SLC6A4EPHX2ALDH1A1TSHRCYP11B1
SCHEMBL8027367 0.88 PPARA (0.49) PPARGPPARAEPHX2FAAHLTA4H
SCHEMBL1747062 0.88 LTA4H (0.59) SLC6A4PPARGPPARAEPHX2FAAH
SCHEMBL7938063 0.84 ESR1 (0.56) SLC6A4EPHX2ALDH1A1TSHRCYP11B1
SCHEMBL22621116 0.83 SLC6A4 (0.51) SLC6A4PPARAALDH1A1TSHRCYP11B1
SCHEMBL507848 0.83 PPARG (0.45) PPARGPPARAEPHX2FAAHLTA4H
SCHEMBL5452795 0.83 MAPT (0.51) PPARGPPARAEPHX2FAAHALDH1A1
SCHEMBL507847 0.83 PPARG (0.45) PPARGPPARAEPHX2FAAHLTA4H
SCHEMBL7929139 0.82 SLC6A4 (0.50) SLC6A4ALDH1A1TSHRCYP11B1CYP11B2

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 3 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

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 SLC6A4 3764/4885PPARG 603/4885PPARA 660/4885

“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.