SCHEMBL1667461

SCHEMBL1667461

CCCCCCCCc1ccc(OCCCC(=O)OCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.58
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
DGKA P23743 1/20 0.54
LTA4H P09960 5/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51

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
SCHEMBL3487193 0.96 DGKA (0.57) PLA2G4ALMNAMEN1USP2ALDH1A1
SCHEMBL8000090 0.94 LTA4H (0.57) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL9258701 0.92 RARB (0.54) PLA2G4ALMNAMEN1USP2ALDH1A1
SCHEMBL7279461 0.90 CYP4F2 (0.59) LMNALTA4HL3MBTL1S1PR4S1PR1
SCHEMBL10929511 0.88 CYP4Z1 (0.60) LMNAALDH1A1CYP3A4PPARGPPARA
SCHEMBL14534754 0.87 LTA4H (0.56) LMNAALDH1A1DGKALTA4HMAPT
SCHEMBL14534753 0.87 LTA4H (0.56) LMNAALDH1A1DGKALTA4HMAPT
SCHEMBL5498756 0.86 P2RY10 (0.57) LMNALTA4HL3MBTL1S1PR4S1PR1
SCHEMBL27313839 0.86 THRB (0.57) MEN1ALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL15922116 0.86 PPARA (0.71) PLA2G4ALMNAMEN1USP2ALDH1A1

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 24 patents — showing the first 20. 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
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
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-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US 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
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 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
CN-102647984-A Anti-inflammatory 2-carbonylthiazoles and 2-carbonyloxazoles AVEXXIN AS 2012-08-22 CN 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
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US 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
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 WO disclosed
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 US disclosed
EP-2139836-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF The Royal Institution for the Advancement of Learning/McGill University (CA) 2010-01-06 EP disclosed
WO-2008122119-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2008-10-16 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 (4 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 1999/4885LMNA 2116/4885MEN1 2321/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 PLA2G4A 2011/4885LMNA 2112/4885MEN1 2314/4885
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF PLA2G1B, PLA2G4B, PLA2G2E PLA2G4A 6/4885LMNA 937/4885MEN1 4014/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 PLA2G4A 1174/4885LMNA 3006/4885MEN1 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.