SCHEMBL22864844

SCHEMBL22864844

CC(C)Cc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CXCR1 P25024 4/20 0.45
CXCR2 P25025 4/20 0.45
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42

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
SCHEMBL14376420 0.87 PPARA (0.64) PPARGPPARA
SCHEMBL5272433 0.86 ALDH1A1 (0.47) ALDH1A1CXCR1CXCR2PTGS1PTGS2
SCHEMBL2686526 0.85 SLC6A4 (0.59)
SCHEMBL8000906 0.83 PPARA (0.46) PPARGPPARAALDH1A1MMP1MMP2
SCHEMBL5272436 0.83 ALDH1A1 (0.45) ALDH1A1CXCR1CXCR2PTGS1PTGS2
SCHEMBL5273133 0.83 ALDH1A1 (0.45) ALDH1A1CXCR1CXCR2PTGS1PTGS2
SCHEMBL22864845 0.83 ALDH1A1 (0.45) ALDH1A1CXCR1CXCR2PTGS1PTGS2
SCHEMBL22623364 0.83 ALDH1A1 (0.45) ALDH1A1CXCR1CXCR2PTGS1PTGS2
SCHEMBL5502208 0.81 PPARA (0.48) PPARGPPARAALDH1A1MMP1MMP2
SCHEMBL6458680 0.81 ALDH1A1 (0.44) ALDH1A1CXCR1CXCR2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002325-A1 BIOREACTIVE COMPOSITIONS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-07 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-20210002325-A1 BIOREACTIVE COMPOSITIONS AND METHODS OF USE THEREOF BCAT2, AADAT, BCAT1 PPARG 3429/4885PPARA 2072/4885ALDH1A1 622/4885

“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.