SCHEMBL2783642

SCHEMBL2783642

NC(=O)C(F)(F)[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC7A5 Q01650 2/20 0.32
NOS2 P35228 3/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
GGT1 P19440 2/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
ACHE P22303 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL5288286 0.81 ALDH1A1 (0.44) ALDH1A1MAPTPTGS1SLC7A5GGT1
SCHEMBL202704 0.75
SCHEMBL13244968 0.75
SCHEMBL166753 0.75
Hydrochloric Acid SCHEMBL19837180 0.72 PTGS1 (0.46) ALDH1A1MAPTPTGS1SLC7A5NOS2
SCHEMBL24489346 0.70 PTGS1 (0.44) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL11685771 0.70
SCHEMBL296273 0.70
SCHEMBL5299472 0.70
SCHEMBL17414698 0.70 PTGS1 (0.44) ALDH1A1MAPTPTGS1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7778779-B2 Method of identifying a chemical entity which is a hydroxylase modulator ISIS INNOVATION LIMITED (GB) 2010-08-17 US disclosed
EP-2156830-A1 Modulators of asparaginyl hydoxylase activity of FIH ISIS INNOVATION LIMITED (GB) 2010-02-24 EP disclosed
EP-1554394-B1 Screening methods using a structural model of FIH ISIS INNOVATION (GB) 2009-12-16 EP disclosed
US-20070048728-A1 Hydroxylases and modulators thereof ISIS INNOVATION LIMITED (GB) 2007-03-01 US disclosed
EP-1554394-A2 ASPARAGINYL HYDROXYLASES AND MODULATORS THEREOF ISIS INNOVATION LIMITED (GB) 2005-07-20 EP disclosed
WO-2004035812-A2 ASPARAGINYL HYDROXYLASES AND MODULATORS THEREOF ISIS INNOVATION LIMITED (GB) 2004-04-29 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-20070048728-A1 Hydroxylases and modulators thereof EGLN3, HIF1AN, EGLN2 ALDH1A1 279/4885MAPT 4144/4885PTGS1 487/4885

“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.