SCHEMBL4122478

SCHEMBL4122478

NNC(F)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
GAA P10253 3/20 0.41
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CNR2 P34972 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ACHE P22303 1/20 0.32
HDAC4 P56524 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
Hydrochloric Acid SCHEMBL22190205 0.76 IDO1 (0.40) IDO1TDO2GAACES2CES1
SCHEMBL1503202 0.73 IDO1 (0.45) IDO1TDO2GAACES2CES1
SCHEMBL29768740 0.72 IDO1 (0.43) IDO1TDO2GAACES2CES1
SCHEMBL1999868 0.72 IDO1 (0.43) IDO1TDO2GAACES2CES1
SCHEMBL18884334 0.71 IDO1 (0.37) IDO1TDO2GAACES2CES1
SCHEMBL6392149 0.71 GAA (0.51) IDO1TDO2GAACES2CES1
SCHEMBL12568801 0.70 IDO1 (0.47) IDO1TDO2GAACES2CES1
SCHEMBL3675762 0.70 IDO1 (0.47) IDO1TDO2GAACES2CES1
SCHEMBL17842404 0.70 IDO1 (0.47) IDO1TDO2GAACES2CES1
SCHEMBL3254677 0.70 IDO1 (0.47) IDO1TDO2GAACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
CN-1479728-A Peroxisome proliferator activated receptor alpha agonists 2004-03-03 CN disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (2 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD IDO1 4260/4885TDO2 2127/4885GAA 3131/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD IDO1 4153/4885TDO2 1123/4885GAA 3979/4885

“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.