SCHEMBL12255166

SCHEMBL12255166

CCCCS(=O)(=O)Nc1ccccc1CC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.47
PGAM1 P18669 1/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
PARP14 Q460N5 1/20 0.44
AR P10275 1/20 0.42
ACLY P53396 1/20 0.41

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
SCHEMBL27561514 0.82 MRGPRX1 (0.46) MRGPRX1PGAM1KCNK3KCNK9PARP14
SCHEMBL10570368 0.80 GAA (0.41) ACLY
SCHEMBL10570687 0.80 ALDH1A1 (0.51) ACLY
SCHEMBL10567331 0.79 PTGES2 (0.56) ACLY
SCHEMBL25219425 0.78 CYP1A2 (0.56) MRGPRX1KCNK3KCNK9
SCHEMBL8867334 0.77 PARP14 (0.47) MRGPRX1PGAM1PARP14AR
SCHEMBL3556511 0.76 SLC16A3 (0.48)
SCHEMBL11871635 0.76 PGAM1 (0.57) MRGPRX1PGAM1PARP14AR
SCHEMBL12255222 0.76 POLB (0.44)
SCHEMBL23014679 0.76 PARP14 (0.46) PARP14

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-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 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-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG MRGPRX1 177/4885PGAM1 4676/4885KCNK3 2633/4885

“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.