SCHEMBL1669644

SCHEMBL1669644

CCCCCCCCCCCCCCCC(=O)c1nc(C(=O)O)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 1.00
CA2 P00918 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HSD17B3 P37058 5/20 0.41
ALDH1A1 P00352 2/20 0.40
FFAR1 O14842 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
CDC25B P30305 1/20 0.39
PTPN11 Q06124 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1667122 0.83 PLA2G4A (0.71) PLA2G4ACA2ALDH1A1MEN1MAPT
SCHEMBL20662520 0.81 PLA2G4A (0.68) PLA2G4ACA2ALDH1A1MEN1MAPT
SCHEMBL12548426 0.80 PLA2G4A (0.67) PLA2G4AL3MBTL1ALDH1A1
SCHEMBL15273494 0.80 PLA2G4A (0.67) PLA2G4ACA2HSD17B3ALDH1A1FFAR1
SCHEMBL1667490 0.79 PLA2G4A (0.66) PLA2G4ACA2ALDH1A1FFAR1MEN1
SCHEMBL15933959 0.78 PLA2G4A (0.64) PLA2G4ATSHR
SCHEMBL15933886 0.75 PLA2G4A (0.59) PLA2G4AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL3549517 0.75 PLA2G4A (0.60) PLA2G4AL3MBTL1HCAR2
SCHEMBL10467225 0.75 PLA2G4A (0.59) PLA2G4ACA2L3MBTL1ALDH1A1MAPT
SCHEMBL12548449 0.74 PLA2G4A (0.59) PLA2G4A

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 1999/4885CA2 212/4885L3MBTL1 757/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 PLA2G4A 2011/4885CA2 213/4885L3MBTL1 753/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 PLA2G4A 1174/4885CA2 495/4885L3MBTL1 351/4885

“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.