SCHEMBL1667066

SCHEMBL1667066

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
PLA2G4A P47712 1/20 0.48
ABCB1 P08183 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSP90AA1 P07900 2/20 0.43
CTSK P43235 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPRB P23467 1/20 0.41

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
SCHEMBL15921221 0.87 RAB9A (0.46) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL1667088 0.83 PLA2G4A (0.48) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL22458201 0.83 RAB9A (0.50) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL12548274 0.80 RAB9A (0.59) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL1669858 0.80 MEN1 (0.55) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL2440072 0.79 RAB9A (0.60) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL20662502 0.78 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL15111192 0.77 RAB9A (0.59) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL1246665 0.77 RAB9A (0.59) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL10042788 0.77 RAB9A (0.52) RAB9AMAPTNPC1ALDH1A1MEN1

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 15 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-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-103772312-A ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS 2014-05-07 CN 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
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 RAB9A 3005/4885MAPT 4605/4885NPC1 116/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 RAB9A 3024/4885MAPT 4608/4885NPC1 117/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 RAB9A 3862/4885MAPT 4414/4885NPC1 274/4885

“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.