SCHEMBL5512488

SCHEMBL5512488

CC(C)C[C@H](O[C@H](Cc1ccc(Cl)cc1)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.55
PPARA Q07869 11/20 0.55
MME P08473 1/20 0.44
KMT2A Q03164 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 3/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40

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
SCHEMBL5514723 0.85 CTSK (0.51) PPARGPPARA
SCHEMBL5516586 0.84 PPARG (0.48) PPARGPPARAMMEKMT2ALMNA
SCHEMBL5516590 0.84 PPARG (0.48) PPARGPPARAMMEKMT2ALMNA
SCHEMBL6168522 0.84 PPARG (0.48) PPARGPPARAMMEKMT2ALMNA
SCHEMBL5512484 0.73 CHRM2 (0.43) MMEKMT2ALMNACYP2C9HTR2A
SCHEMBL5512480 0.73 CHRM2 (0.43) MMEKMT2ALMNACYP2C9HTR2A
SCHEMBL5510848 0.71 FPR2 (0.39) MMELMNA
SCHEMBL7541731 0.71 PPARG (0.63) PPARGPPARALMNAALDH1A1
SCHEMBL7541726 0.71 PPARG (0.63) PPARGPPARALMNAALDH1A1
SCHEMBL4704738 0.71 MME (0.47) PPARGPPARAMMELMNA

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-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK PPARG 2411/4885PPARA 2747/4885MME 154/4885

“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.