SCHEMBL6488581

SCHEMBL6488581

CC(C)(C)OC(=O)c1ccc(OCC(=O)COc2ccc(CCCOS(C)(=O)=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 12/20 0.45
PPARG P37231 2/20 0.42
PLA2G2A P14555 1/20 0.41
PLA2G4A P47712 2/20 0.40
RXRA P19793 1/20 0.38
NR1H2 P55055 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL8567015 0.89 CA1 (0.46) PPARGCA12CA1CA2CA9
SCHEMBL6489468 0.89 PPARG (0.47) PPARG
SCHEMBL9720181 0.86 CA12 (0.45) PPARGRXRANR1H2CA12CA1
SCHEMBL6489068 0.83 CYP4A11 (0.54) PLA2G4BPPARGPLA2G2APLA2G4ARXRA
SCHEMBL3126755 0.82 CA1 (0.48) PPARGCA12CA1CA2CA9
SCHEMBL31404414 0.80 PTPN1 (0.47) PPARG
SCHEMBL7635754 0.78 FFAR1 (0.51)
SCHEMBL6502078 0.77 PLA2G4B (0.47) PLA2G4BPPARGPLA2G2APLA2G4A
SCHEMBL10984535 0.77 CA1 (0.38) PPARGCA1CA2
SCHEMBL14415230 0.75 SLC7A5 (0.51) PPARGCA12CA1CA2CA9

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-6924391-B2 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-02 US disclosed
US-20020037875-A1 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-03-28 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-20020037875-A1 Alpha-amino,-thio,-oxo substituted ketones as phospholipase inhibitors PLA2G4B, PLA2G4A, PLA2G1B PLA2G4B 1/4885PPARG 626/4885PLA2G2A 28/4885

“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.