SCHEMBL4540353

SCHEMBL4540353

CC(C)(/C=N/O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.60
PPARG P37231 3/20 0.60
FABP2 P12104 1/20 0.60
SLC22A12 Q96S37 1/20 0.60
ELANE P08246 3/20 0.54
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
ABCB11 O95342 2/20 0.53
TSHR P16473 2/20 0.53
HTR2A P28223 2/20 0.53
PMP22 Q01453 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL4540357 1.00 PPARA (0.60) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL4538466 0.86 PPARA (0.65) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL10190646 0.79 PPARA (0.73) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL30657556 0.76 PPARA (0.69) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL822492 0.75 PPARA (0.77) PPARAPPARGFABP2SLC22A12ELANE
Fenofibric Acid SCHEMBL16377 0.75 PPARA (1.00) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL13984052 0.75 PPARA (0.77) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL8037406 0.74 PPARA (0.65) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL18885322 0.74 PPARA (0.65) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL22221751 0.74 PPARA (0.65) PPARAPPARGFABP2SLC22A12ELANE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 PPARA 1494/4885PPARG 1203/4885FABP2 4580/4885

“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.