SCHEMBL1949541

SCHEMBL1949541

CCCCCCOc1ccc(CCCCC(=O)c2nccs2)cc1

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 5/20 0.93
CES1 P23141 1/20 0.65
S1PR4 O95977 4/20 0.49
S1PR1 P21453 4/20 0.49
S1PR3 Q99500 4/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
S1PR5 Q9H228 3/20 0.47

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
SCHEMBL1949550 0.97 PLA2G4A (1.00) PLA2G4ACES1S1PR4S1PR1S1PR3
SCHEMBL1950718 0.93 PLA2G4A (0.85) PLA2G4ACES1S1PR4S1PR1S1PR3
SCHEMBL12548618 0.88 PLA2G4A (0.77) PLA2G4ACES1HRH2HRH1SMN1; SMN2
SCHEMBL15924463 0.87 PLA2G4A (1.00) PLA2G4ACES1
SCHEMBL12801754 0.86 PLA2G4A (0.74) PLA2G4ACES1HRH2HRH1ALDH1A1
SCHEMBL12548350 0.83 PLA2G4A (0.76) PLA2G4ACES1HRH2HRH1MEN1
SCHEMBL20662515 0.83 PLA2G4A (0.65) PLA2G4AS1PR4S1PR1S1PR3MEN1
SCHEMBL1668014 0.83 PLA2G4A (0.66) PLA2G4ACES1ALDH1A1
SCHEMBL22452065 0.81 CES1 (0.66) PLA2G4ACES1S1PR1S1PR3S1PR5
SCHEMBL1668132 0.81 PLA2G4A (1.00) PLA2G4AS1PR4S1PR1S1PR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2023-07-04 US disclosed
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds AVEXXIN AS (NO) 2023-07-04 US disclosed
US-20220363659-A1 ANTI-INFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS AVEXXIN AS (NO) 2022-11-17 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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 1999/4885CES1 59/4885S1PR4 845/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 PLA2G4A 2011/4885CES1 61/4885S1PR4 851/4885
US-20220363659-A1 ANTI-INFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS OXER1, CASP1, IL6 PLA2G4A 1539/4885CES1 527/4885S1PR4 999/4885
US-11691959-B2 Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds CASP1, IL1B, OXER1 PLA2G4A 1579/4885CES1 379/4885S1PR4 1034/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 PLA2G4A 1174/4885CES1 155/4885S1PR4 1764/4885

“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.