SCHEMBL3459815

SCHEMBL3459815

NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
MAPT P10636 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MASP2 O00187 1/20 0.49
F2 P00734 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 3/20 0.47
HPD P32754 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL19175209 0.81 MASP2 (0.51) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3453162 0.81 MASP2 (0.51) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL10665310 0.80 CYP1A2 (0.60) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11380309 0.79 KDM4E (0.63) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5629465 0.79 CYP2C19 (0.55) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL4502024 0.78 MASP2 (0.57) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3451299 0.78 MASP2 (0.51) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11757129 0.78 MASP2 (0.51) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL10980033 0.78 MAPT (0.61) MAPTCYP3A4CYP2C9MASP2F2
SCHEMBL13124325 0.77 ALDH1A1 (0.51) MAPTCYP1A2CYP3A4CYP2C19CYP2D6

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-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US claimed
US-7820705-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-10-26 US disclosed
EP-1745027-A4 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-06-03 EP disclosed
US-20080114044-A1 Compounds And Compositions As Ppar Modulators EPPLE ROBERT 2008-05-15 US disclosed
EP-1745027-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005113519-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-01 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-20080114044-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD PTGDR2 309/4885MAPT 3464/4885CYP1A2 1383/4885

“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.