SCHEMBL508137

SCHEMBL508137

C/C(=C\C(=O)O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
AURKA O14965 1/20 0.50
TPX2 Q9ULW0 1/20 0.50
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
KMT2A Q03164 1/20 0.44
SERPINE1 P05121 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
KIF11 P52732 1/20 0.43
ESR1 P03372 1/20 0.43
EPHX2 P34913 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
FAAH O00519 1/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.42
PTGER4 P35408 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
SCHEMBL18146421 0.95 NR4A1 (0.63) NR4A1NR4A2NR4A3AURKATPX2
SCHEMBL12836091 0.95 NR4A1 (0.63) NR4A1NR4A2NR4A3AURKATPX2
SCHEMBL16030062 0.81 NR4A1 (0.42) NR4A1NR4A2NR4A3AURKATPX2
SCHEMBL16030063 0.81 NR4A1 (0.42) NR4A1NR4A2NR4A3AURKATPX2
SCHEMBL16030211 0.81 NR4A1 (0.42) NR4A1NR4A2NR4A3AURKATPX2
SCHEMBL30837224 0.80 AURKA (0.54) AURKATPX2MMP2MMP9MMP8
SCHEMBL13864073 0.80 TRPV1 (0.47) NR4A1NR4A2NR4A3KMT2AADORA3
Hydrochloric Acid SCHEMBL27796451 0.79 AURKA (0.53) AURKATPX2MMP2MMP9MMP8
SCHEMBL505538 0.79 AURKA (0.69) AURKATPX2MMP2MMP9MMP8
SCHEMBL20208510 0.78 TRPV1 (0.40) NR4A1NR4A2NR4A3EPHX2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR4A1 596/4885NR4A2 390/4885NR4A3 494/4885

“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.