SCHEMBL20782425

SCHEMBL20782425

CCOCC=C(C(=O)CC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
GLO1 Q04760 1/20 0.46
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
DHODH Q02127 2/20 0.36
SOAT1 P35610 1/20 0.35
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLIN1 O60240 1/20 0.34

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
SCHEMBL2173521 0.88 NPSR1 (0.52) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL20782447 0.84 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL22607728 0.83 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL20782773 0.83 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL22281218 0.79 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL6887908 0.78 NPSR1 (0.54) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL18870007 0.77 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10208384 0.75 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8325843 0.73 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL11655592 0.73 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001590-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-05-11 US disclosed
US-10934301-B2 Pyrazolopyrimidine derivatives BAYER ANIMAL HEALTH GMBH (DE) 2021-03-02 US disclosed
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 US disclosed
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-07-30 US disclosed
US-20190071447-A1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-03-07 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-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 NPSR1 1265/4885GLO1 2226/4885ALDH1A1 1228/4885
US-20190071447-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 NPSR1 1214/4885GLO1 2207/4885ALDH1A1 1297/4885
US-20200239482-A1 PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 NPSR1 1265/4885GLO1 2226/4885ALDH1A1 1228/4885
US-10934301-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 NPSR1 1265/4885GLO1 2226/4885ALDH1A1 1228/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 NPSR1 1422/4885GLO1 2317/4885ALDH1A1 1241/4885

“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.