SCHEMBL1669773

SCHEMBL1669773

CCCCCCCCCCCCCCCC(=O)c1nc(CC(=O)OCC)cs1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NR4A1 P22736 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 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
SCHEMBL12548642 0.92 PLA2G4A (0.54) PLA2G4AKMT2AMEN1ALDH1A1GAA
SCHEMBL15921345 0.85 MAPK1 (0.53) PLA2G4AKMT2AMEN1ALDH1A1GAA
SCHEMBL1667490 0.84 PLA2G4A (0.66) PLA2G4AKMT2AMEN1ALDH1A1TSHR
SCHEMBL12548631 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1GAAMAPK1
SCHEMBL1667606 0.83 ALDH1A1 (0.52) PLA2G4AKMT2AMEN1ALDH1A1POLB
SCHEMBL17368816 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1GAAMAPK1
SCHEMBL22452067 0.80 KMT2A (0.60) KMT2AMEN1ALDH1A1GAAMAPK1
SCHEMBL1667502 0.80 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL17363430 0.79 PLA2G4A (0.72) PLA2G4AKMT2AMEN1ALDH1A1MAPK1
SCHEMBL18971708 0.79 MEN1 (0.65) KMT2AMEN1ALDH1A1GAAMAPK1

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-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 US disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 EP disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
EP-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 EP disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 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 (3 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-20110136879-A1 COMPOUND CBR1, CBR3, CCR1 PLA2G4A 1999/4885KMT2A 4796/4885MEN1 2321/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 PLA2G4A 2011/4885KMT2A 4797/4885MEN1 2314/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 PLA2G4A 1174/4885KMT2A 4706/4885MEN1 3221/4885

“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.