SCHEMBL3597004

SCHEMBL3597004

CC(=O)ONNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TRPV1 Q8NER1 3/20 0.49
POLB P06746 1/20 0.48
TLR7 Q9NYK1 3/20 0.48
MAOB P27338 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGS1 P23219 2/20 0.45

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
SCHEMBL3049902 0.81 TLR7 (0.53) CES2CES1TRPV1POLBTLR7
SCHEMBL5736589 0.81 TRPV1 (0.42) TRPV1MEN1NPC1MAPTRAB9A
SCHEMBL26163219 0.74 CES2 (0.57) CES2CES1TRPV1NR4A1NR4A2
SCHEMBL2743436 0.74 CES2 (0.61) CES2CES1TRPV1NPC1RAB9A
SCHEMBL3655196 0.74 CES2 (0.61) CES2CES1TRPV1NR4A1NR4A2
SCHEMBL31512899 0.73 TRPV1 (0.50) CES2CES1TRPV1POLBTLR7
SCHEMBL11029480 0.73 KMT2A (0.51) POLBMEN1NPC1MAPTRAB9A
SCHEMBL72091 0.73 CES2 (0.67) CES2CES1TRPV1MAOBNR4A1
SCHEMBL16973935 0.73 CES2 (0.55) CES2CES1TRPV1MAOBNR4A1
SCHEMBL12251427 0.73 MLYCD (0.71) CES2CES1TRPV1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
EP-1971594-A2 SUBSTITUTED PYRAZALONES Biogen Idec MA Inc. (US) 2008-09-24 EP disclosed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 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-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 CES2 4699/4885CES1 1648/4885TRPV1 2375/4885

“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.