SCHEMBL6887908

SCHEMBL6887908

C/C=C(/C(=O)CC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.54
GLO1 Q04760 1/20 0.54
ALDH1A1 P00352 4/20 0.47
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SOAT1 P35610 1/20 0.42
DHODH Q02127 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7103341 0.87 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7103340 0.87 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1942274 0.85 NPSR1 (0.62) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL13269051 0.85 NPSR1 (0.62) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10208384 0.83 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10689235 0.83 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10689237 0.83 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11655592 0.81 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8325843 0.81 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11655595 0.81 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227970-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE, INC. (US) 2016-01-05 US disclosed
US-20150099735-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-8946427-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2015-02-03 US disclosed
US-20140303141-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-8410117-B2 Imidazopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-8263584-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US disclosed
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2011-09-29 US disclosed
US-8017604-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES HOFFMANN-LA ROCHE, INC. 2011-03-24 US 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-20140303141-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE3A, PDE5A, PDE3B NPSR1 681/4885GLO1 2829/4885ALDH1A1 390/4885
US-20110237564-A1 IMIDAZOPYRIMIDINE DERIVATIVES PDE5A, PDE3B, PDE3A NPSR1 1343/4885GLO1 3760/4885ALDH1A1 105/4885
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES PDE10A, PDE4A, PDE3A NPSR1 538/4885GLO1 4202/4885ALDH1A1 372/4885
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B NPSR1 425/4885GLO1 3221/4885ALDH1A1 511/4885
US-20150099735-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE3A, PDE5A, PDE3B NPSR1 681/4885GLO1 2829/4885ALDH1A1 390/4885

“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.