SCHEMBL5743073

SCHEMBL5743073

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2NC(=O)SC2=O)c2sccc12.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.63
PPARA Q07869 20/20 0.63
PPARD Q03181 6/20 0.63

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
SCHEMBL5623121 0.99 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL7538422 0.94 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL5974090 0.94 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL7621884 0.90 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL7727703 0.89 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL6021601 0.88 PPARG (0.61) PPARGPPARAPPARD
SCHEMBL7722485 0.86 PPARG (0.49) PPARGPPARAPPARD
SCHEMBL5742131 0.86 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL7727745 0.86 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL7722506 0.86 PPARG (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078923-B1 Process for the preparation of benzothiophene derivatives HOFFMANN LA ROCHE (CH) 2006-03-08 EP disclosed
US-6482958-B2 REACTING A THIOPHENE CARBALDEHYDE COMPOUND WITH VINYLMAGNESIUM HALIDE REAGENT FOLLOWED BY REACTING WITH ACID HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-6437144-B2 CYCLOCARBONYLATION HOFFMANN-LA ROCHE INC. 2002-08-20 US disclosed
US-20020077488-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-06-20 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-20020077488-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, SLC5A1, TST PPARG 252/4885PPARA 375/4885PPARD 396/4885

“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.