SCHEMBL3451763

SCHEMBL3451763

COC(=O)Cc1cccc(C=NO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.49
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
ALDH1A1 P00352 5/20 0.44
GFER P55789 2/20 0.44
GAA P10253 1/20 0.44
HSP90AB1 P08238 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CTBP2 P56545 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL13108839 1.00 SLC7A5 (0.49) SLC7A5CYP4F2CYP4A11ALDH1A1GFER
SCHEMBL4404014 0.84 CYP4F2 (0.58) SLC7A5CYP4F2CYP4A11ALDH1A1GFER
SCHEMBL4404015 0.84 CYP4F2 (0.58) SLC7A5CYP4F2CYP4A11ALDH1A1GFER
SCHEMBL1124720 0.83 SLC7A5 (0.56) SLC7A5CYP4F2CYP4A11ALDH1A1GFER
SCHEMBL4397016 0.81 SLC7A5 (0.51) SLC7A5CYP4F2CYP4A11ALDH1A1GFER
SCHEMBL19153881 0.81 AKR1B1 (0.48) ALDH1A1GAAPOLBKDM4EL3MBTL1
SCHEMBL12400239 0.80 SLC7A5 (0.68) SLC7A5CYP4F2CYP4A11ALDH1A1GFER
SCHEMBL4683225 0.79 LTB4R (0.56) SLC7A5CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL4683223 0.79 LTB4R (0.56) SLC7A5CYP4F2CYP4A11ALDH1A1KDM4E
SCHEMBL14143301 0.78 CYP4F2 (0.59) SLC7A5CYP4F2CYP4A11ALDH1A1GFER

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 5 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 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 SLC7A5 4405/4885CYP4F2 1229/4885CYP4A11 394/4885

“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.