SCHEMBL5017673

SCHEMBL5017673

O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.72
PDK2 Q15119 1/20 0.72
PDK3 Q15120 1/20 0.72
PDK4 Q16654 1/20 0.72
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNMA1 Q12791 1/20 0.52
PHGDH O43175 1/20 0.51
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48

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
SCHEMBL10400126 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4MEN1
SCHEMBL5103222 0.87 PDK1 (0.71) PDK1PDK2PDK3PDK4MEN1
SCHEMBL30093275 0.87 PDK1 (0.71) PDK1PDK2PDK3PDK4MEN1
SCHEMBL10041286 0.81 PDK1 (0.71) PDK1PDK2PDK3PDK4MEN1
SCHEMBL95284 0.78 PDK1 (0.68) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6857920 0.78 KMT2A (0.73) PDK1PDK2PDK3PDK4MEN1
SCHEMBL11332310 0.78 KMT2A (0.73) PDK1PDK2PDK3PDK4MEN1
SCHEMBL16077783 0.76 PDK1 (0.64) PDK1PDK2PDK3PDK4MEN1
SCHEMBL1745798 0.76 KMT2A (0.71) PDK1PDK2PDK3PDK4MEN1
SCHEMBL175272 0.76 MEN1 (0.71) PDK1PDK2PDK3PDK4MEN1

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-7456293-B2 Substituted carboxylic acid derivatives for the treatment of diabetes and lipid disorders, their preparation and use SK HOLDING CO., LTD (KR) 2008-11-25 US disclosed
EP-1869004-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS, THEIR PREPARATION AND USE SK Holdings Co., Ltd. (KR) 2007-12-26 EP disclosed
US-20060281802-A1 Substituted carboxylic acid derivatives for the treatment of diabetes and lipid disorders, their preparation and use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-12-14 US disclosed
WO-2006104349-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS, THEIR PREPARATION AND USE SK HOLDINGS CO., LTD. (KR) 2006-10-05 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-20060281802-A1 Substituted carboxylic acid derivatives for the treatment of diabetes and lipid disorders, their preparation and use SLC5A1, CPT1A, GPR119 PDK1 343/4885PDK2 346/4885PDK3 574/4885

“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.