SCHEMBL1667049

SCHEMBL1667049

O=C(O)CCC(NC(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CSNK1D P48730 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
GLO1 Q04760 2/20 0.48
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CMA1 P23946 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL1667573 1.00 SMN1; SMN2 (0.56) SMN1; SMN2HPGDNPC1RAB9ACSNK1D
SCHEMBL22452064 0.85 SMN1; SMN2 (0.46) SMN1; SMN2HPGDNPC1RAB9ACSNK1D
SCHEMBL18649438 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HPGDNPC1RAB9ACSNK1D
SCHEMBL6803362 0.79 ALOX15 (0.49) SMN1; SMN2HPGDNPC1RAB9AL3MBTL1
SCHEMBL27694707 0.76 NAALAD2 (0.66) POLB
SCHEMBL6567542 0.76 NAALAD2 (0.66) POLB
SCHEMBL6567538 0.76 NAALAD2 (0.66) POLB
SCHEMBL6463758 0.74 CNR1 (0.51) SMN1; SMN2NPC1RAB9A
SCHEMBL7405734 0.74 ALOX15 (0.48) HPGDTSHRALOX15CASP1ALDH1A1
SCHEMBL14010459 0.73 MMP12 (0.54) POLB

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 8 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
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 SMN1; SMN2 3110/4885HPGD 1006/4885NPC1 116/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 SMN1; SMN2 3109/4885HPGD 1002/4885NPC1 117/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 SMN1; SMN2 3227/4885HPGD 891/4885NPC1 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.