SCHEMBL4596633

SCHEMBL4596633

O=C(O)CC(=O)OCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
FBP1 P09467 1/20 0.41
AKR1B1 P15121 2/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MITF O75030 1/20 0.39
HPGD P15428 1/20 0.39
MC4R P32245 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TTR P02766 2/20 0.38
MAPT P10636 2/20 0.38
PPOX P50336 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MYC P01106 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
SCHEMBL4596441 0.79 L3MBTL1 (0.42) FBP1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL4596863 0.78 TTR (0.43) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4596621 0.77 ALDH1A1 (0.44) FBP1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL4596164 0.75 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDTTR
SCHEMBL4596487 0.75 TDP1 (0.41) ALDH1A1MEN1KMT2AHPGDTTR
SCHEMBL7344648 0.73 MAOB (0.50) ALDH1A1MEN1KMT2AHPGDCYP3A4
SCHEMBL4897531 0.72 TTR (0.39) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4596411 0.72 CYP11B1 (0.51) FBP1AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL10914796 0.72 ATM (0.44) ALDH1A1MEN1KMT2AMITFMAPT
SCHEMBL6026958 0.72 MMP12 (0.49) MGLLMEN1KMT2APPARACYP1A2

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 MGLL 3830/4885FBP1 1348/4885AKR1B1 897/4885

“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.