SCHEMBL4507009

SCHEMBL4507009

CCOC(=O)CC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
MEN1 O00255 1/20 0.65
GMNN O75496 1/20 0.65
ALDH1A1 P00352 1/20 0.65
TTR P02766 1/20 0.65
PKM P14618 1/20 0.65
NFKB1 P19838 1/20 0.65
UGT1A1 P22309 1/20 0.65
PTGS1 P23219 1/20 0.65
PTGS2 P35354 1/20 0.65
PMP22 Q01453 1/20 0.65
DHODH Q02127 1/20 0.65
KMT2A Q03164 1/20 0.65
TEAD4 Q15561 1/20 0.65
HIF1A Q16665 1/20 0.65
GPR35 Q9HC97 1/20 0.65
TDP1 Q9NUW8 1/20 0.65

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
SCHEMBL8689929 0.88 LMNA (0.69) LMNACYP1A2CYP3A4CYP2C9MEN1
SCHEMBL13653030 0.87 LMNA (0.74) LMNACYP1A2CYP3A4CYP2C9MEN1
SCHEMBL14265557 0.81 LMNA (0.68) LMNACYP1A2CYP3A4CYP2C9MEN1
SCHEMBL25392363 0.81 LMNA (0.76) LMNACYP1A2CYP3A4CYP2C9MEN1
SCHEMBL12608890 0.81 LMNA (0.79) LMNACYP1A2CYP3A4CYP2C9MEN1
SCHEMBL5871630 0.81 LMNA (0.59) LMNACYP1A2CYP3A4CYP2C9MEN1
Niflumic Acid SCHEMBL29373503 0.80 DHODH (1.00) LMNACYP1A2CYP3A4CYP2C9MEN1
Niflumic Acid SCHEMBL29364001 0.80 DHODH (1.00) LMNACYP1A2CYP3A4CYP2C9MEN1
Niflumic Acid SCHEMBL24706 0.80 DHODH (1.00) LMNACYP1A2CYP3A4CYP2C9MEN1
Niflumic Acid SCHEMBL4886924 0.80 DHODH (1.00) LMNACYP1A2CYP3A4CYP2C9MEN1

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
EP-1613318-A4 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORP (US) 2009-03-11 EP disclosed
US-20060094714-A1 Compounds and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-04 US disclosed
EP-1613318-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-01-11 EP disclosed
WO-2004087880-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-10-14 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-20060094714-A1 Compounds and their use to treat diabetes and related disorders IAPP, SLC5A2, SLC5A1 LMNA 2697/4885CYP1A2 799/4885CYP3A4 996/4885

“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.