SCHEMBL4374302

SCHEMBL4374302

O=C(O)COc1cc(F)ccc1CBr

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
AKR1B1 P15121 2/20 0.50
AKR1A1 P14550 1/20 0.50
PTGDR2 Q9Y5Y4 7/20 0.49
MGLL Q99685 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.43
PTGDR Q13258 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL18045699 0.81 PKM (0.72) PKMPTGDR2L3MBTL1POLBSMN1; SMN2
SCHEMBL13603360 0.81 USP2 (0.45) PKMSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL3709750 0.80 PKM (0.76) PKMAKR1B1AKR1A1PTGDR2L3MBTL1
SCHEMBL4669737 0.80 L3MBTL1 (0.65) PKMPTGDR2L3MBTL1POLBSMN1; SMN2
SCHEMBL4626659 0.77 PKM (0.66) PKMPTGDR2L3MBTL1POLBSMN1; SMN2
SCHEMBL4138843 0.77 PKM (0.71) PKMAKR1B1AKR1A1PTGDR2L3MBTL1
SCHEMBL2112042 0.77 PKM (1.00) PKMPTGDR2POLBSMN1; SMN2PTGDR
SCHEMBL4384639 0.77 PKM (0.61) PKMPTGDR2L3MBTL1POLBSMN1; SMN2
SCHEMBL31468805 0.77 PKM (0.61) PKMAKR1B1AKR1A1PTGDR2L3MBTL1
SCHEMBL3729834 0.77 PTGDR2 (0.62) PKMPTGDR2L3MBTL1POLBSMN1; SMN2

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 PKM 543/4885AKR1B1 485/4885AKR1A1 758/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 PKM 451/4885AKR1B1 345/4885AKR1A1 611/4885

“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.