SCHEMBL13655828

SCHEMBL13655828

CCOC(C=O)Cc1ccc(NCCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.47
PPARG P37231 8/20 0.47
MAPT P10636 1/20 0.40
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
RORC P51449 3/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL13655922 1.00 PPARA (0.47) PPARAPPARGMAPTADRB2ADRB1
SCHEMBL13655824 0.89 PPARG (0.43) PPARAPPARGMAPT
SCHEMBL13655821 0.83 MTNR1A (0.38) PPARAPPARGKCNH2
SCHEMBL13762777 0.83 PPARA (0.67) PPARAPPARG
SCHEMBL13655913 0.83 PPARA (0.40) PPARAPPARGKCNH2
SCHEMBL14305541 0.82 PPARA (0.38) PPARAPPARGMAPTKCNH2
SCHEMBL4073189 0.81 PPARA (0.71) PPARAPPARG
SCHEMBL4073200 0.81 PPARA (0.71) PPARAPPARG
SCHEMBL13655792 0.81 PPARA (0.50) PPARAPPARGMAPTKCNH2
SCHEMBL13655823 0.81 PPARA (0.50) PPARAPPARGMAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 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-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 PPARA 179/4885PPARG 169/4885MAPT 217/4885

“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.