SCHEMBL2815935

SCHEMBL2815935

CO[C@@H](C)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.81
PPARA Q07869 20/20 0.81
PPARD Q03181 6/20 0.81

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
Aleglitazar SCHEMBL482285 0.90 PPARG (1.00) PPARGPPARAPPARD
Aleglitazar SCHEMBL483251 0.90 PPARG (1.00) PPARGPPARAPPARD
Aleglitazar SCHEMBL482284 0.90 PPARG (1.00) PPARGPPARAPPARD
Aleglitazar SCHEMBL30193480 0.90 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5759675 0.89 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL5762070 0.88 PPARG (0.88) PPARGPPARAPPARD
Aleglitazar SCHEMBL1739488 0.87 PPARG (0.89) PPARGPPARAPPARD
Aleglitazar SCHEMBL19457970 0.87 PPARG (0.89) PPARGPPARAPPARD
SCHEMBL6432402 0.87 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL5742581 0.86 PPARG (0.77) PPARGPPARAPPARD

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-8450496-B2 Process for the preparation of propionic acid derivatives HOFFMAN-LA ROCHE INC. (US) 2013-05-28 US disclosed
US-20100249428-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-09-30 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-20100249428-A1 PROCESS FOR THE PREPARATION OF PROPIONIC ACID DERIVATIVES PCCA, SLC6A1, SLC6A11 PPARG 664/4885PPARA 353/4885PPARD 399/4885

“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.