SCHEMBL22461382

SCHEMBL22461382

CCOC(=O)CC(CC(=O)CN(C)C)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 7/20 0.34
TRPA1 O75762 1/20 0.34
ALOX15 P16050 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL10697367 0.77 GAA (0.43) CA12CA1CA2CA9MGAM
SCHEMBL4025531 0.77 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8911100 0.76 GAA (0.46) CA12CA1CA2CA9MGAM
SCHEMBL5147261 0.75 LMNA (0.41) ALDH1A1KDM4E
SCHEMBL7736216 0.74 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28340643 0.73 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1268514 0.73 GAA (0.43) CA12CA1CA2CA9MGAM
SCHEMBL6138751 0.72 GAA (0.58) CA12CA1CA2CA9MGAM
SCHEMBL10081491 0.72 GAA (0.44) CA12CA1CA2CA9MGAM
SCHEMBL25249275 0.72 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1

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 2 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-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-09-24 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 (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-11001590-B2 Pyrazolopyrimidine derivatives P2RX5, RECQL, P2RX1 CA12 4813/4885CA1 4674/4885CA2 3543/4885
US-20200299299-A1 NEW PYRAZOLOPYRIMIDINE DERIVATIVES P2RX5, RECQL, P2RX1 CA12 4849/4885CA1 4721/4885CA2 3677/4885

“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.