SCHEMBL4077888

SCHEMBL4077888

CO[C@@H](Cc1ccc(N(C/C=C/c2ccc(OS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1)C(=O)O.[MgH2]

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
PPARG P37231 17/20 0.44
PPARA Q07869 16/20 0.44
PPARD Q03181 9/20 0.44

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
SCHEMBL4076819 0.99 TSHR (0.47) TSHRPPARGPPARAPPARD
SCHEMBL6834539 0.99 TSHR (0.47) TSHRPPARGPPARAPPARD
SCHEMBL13649266 0.92 TSHR (0.45) TSHRPPARGPPARAPPARD
SCHEMBL4085858 0.92 TSHR (0.45) TSHRPPARGPPARAPPARD
SCHEMBL4085063 0.91 PPARA (0.54) PPARGPPARAPPARD
SCHEMBL6832034 0.90 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL4076954 0.90 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL13649269 0.88 TSHR (0.46) TSHRPPARGPPARAPPARD
SCHEMBL4079361 0.85 PPARG (0.49) TSHRPPARGPPARAPPARD
SCHEMBL13649267 0.85 PPARG (0.49) TSHRPPARGPPARAPPARD

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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 US claimed
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-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 (2 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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 TSHR 3168/4885PPARG 172/4885PPARA 182/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 TSHR 3081/4885PPARG 169/4885PPARA 179/4885

“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.