SCHEMBL1667088

SCHEMBL1667088

CCOC(=O)c1csc(C(O)CCCCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPRB P23467 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
FAAH O00519 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MMP13 P45452 3/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.42

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
SCHEMBL1667066 0.83 RAB9A (0.51) PLA2G4ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1667486 0.82 LMNA (0.49) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1667091 0.80 NPC1 (0.51) PLA2G4ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1667463 0.78 PLA2G4A (0.62) PLA2G4ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2171899 0.78 PTPRB (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL22458201 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL12548274 0.75 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1502675 0.74 GAA (0.56) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL10355700 0.74 MMP13 (0.59) PLA2G4ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17709077 0.74 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 18 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
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
EP-2482815-B1 ANTIINFLAMMATORY 2-OXOTHIAZOLES AND 2-OXOOXAZOLES AVEXXIN AS (NO) 2018-05-02 EP disclosed
EP-2482815-B1 ANTIINFLAMMATORY 2-OXOTHIAZOLES AND 2-OXOOXAZOLES AVEXXIN AS (NO) 2018-05-02 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
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

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 1999/4885NPC1 116/4885RAB9A 3005/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 PLA2G4A 2011/4885NPC1 117/4885RAB9A 3024/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 PLA2G4A 1174/4885NPC1 274/4885RAB9A 3862/4885

“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.