SCHEMBL4758581

SCHEMBL4758581

CC1C=C(OS(=O)(=O)C(F)(F)F)CCN1C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 1/20 0.37
FAAH O00519 2/20 0.36
MGLL Q99685 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL22529697 0.83 DRD2 (0.33)
SCHEMBL21326449 0.83 DRD2 (0.33)
SCHEMBL25418364 0.83 DRD2 (0.33)
SCHEMBL16050778 0.82 NR1H2 (0.36)
SCHEMBL16041190 0.82 NR1H2 (0.36)
SCHEMBL431871 0.82 NR1H2 (0.36)
SCHEMBL4758394 0.77 GAA (0.40) GAASMN1; SMN2ALDH1A1CHRNA7HTR3A
SCHEMBL28766813 0.74 DRD2 (0.35) POLB
SCHEMBL21297622 0.73 DRD2 (0.40)
SCHEMBL21297621 0.73 DRD2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (1 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 GAA 4794/4885SMN1; SMN2 1776/4885ALDH1A1 2588/4885

“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.