SCHEMBL692879

SCHEMBL692879

CCOC(=O)c1nnc(-c2ccc(NS(=O)(=O)C(F)(F)F)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
POLB P06746 2/20 0.47
TSHR P16473 4/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HSPD1 P10809 1/20 0.46
HSPE1 P61604 1/20 0.46
HPGD P15428 5/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARA Q07869 2/20 0.41
PTPN1 P18031 1/20 0.40
NPC1 O15118 2/20 0.40
FKBP4 Q02790 1/20 0.40
FKBP5 Q13451 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL692852 0.87 CA1 (0.52) CA1CA2POLBTSHRTP53
SCHEMBL9611055 0.83 MAPK1 (0.52) CA1CA2TSHRTP53HSD17B10
SCHEMBL327146 0.80 CA1 (0.64) CA1CA2POLBTSHRTP53
SCHEMBL4661419 0.79 HSPD1 (0.62) CA1CA2TP53HSD17B10HSPD1
SCHEMBL167291 0.78 CA1 (0.68) CA1CA2POLBTSHRTP53
SCHEMBL326764 0.78 CA1 (0.71) CA1CA2POLBTSHRTP53
SCHEMBL8825263 0.77 CA1 (0.79) CA1CA2POLBTSHRTP53
SCHEMBL691500 0.77 HPGD (0.68) CA1CA2TSHRHPGDMAPK1
SCHEMBL28373039 0.76 CA1 (1.00) CA1CA2POLB
SCHEMBL7865590 0.76 CA1 (0.72) CA1CA2POLBTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560643-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2013-02-27 EP disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
EP-2421528-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2012-02-29 EP disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 US disclosed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO disclosed
WO-2010123933-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 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 (2 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-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES CFTR, PKD1, PKD2 CA1 3753/4885CA2 1288/4885POLB 3401/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 CA1 237/4885CA2 7/4885POLB 4092/4885

“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.