SCHEMBL5741500

SCHEMBL5741500

Cc1oc(-c2ccccc2)nc1CCOc1ccc(C(C)C(Br)C(=O)O)c2sccc12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.66
PPARA Q07869 20/20 0.66
PPARD Q03181 6/20 0.66

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
SCHEMBL5042545 0.84 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL5759675 0.82 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL5042359 0.81 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL14438391 0.81 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL5742581 0.80 PPARG (0.77) PPARGPPARAPPARD
SCHEMBL5741497 0.80 PPARG (0.77) PPARGPPARAPPARD
SCHEMBL5762025 0.80 PPARG (0.85) PPARGPPARAPPARD
SCHEMBL5760889 0.80 PPARG (0.85) PPARGPPARAPPARD
SCHEMBL5741098 0.80 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL19711226 0.80 PPARG (0.74) 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 11 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 claimed
US-6437144-B2 CYCLOCARBONYLATION HOFFMANN-LA ROCHE INC. 2002-08-20 US claimed
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-01-24 US claimed
EP-1078923-A2 Process for the preparation of benzothiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 EP claimed
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
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-01-24 US disclosed
US-6291685-B1 REACTING 1-(2-THIENYL)ALLYL DERIVATIVE IN SOLVENT MEDIUM CONTAINING BASE AND CARBOXYLIC ACID ANHYDRIDE WITH CARBON MONOXIDE IN PRESENCE OF CARBONYLATION CATALYST TO FORM ESTER COMPOUND; SAPONIFICATION TO FORM 4-HYDROXYBENZOTHIOPHENE HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
EP-1078923-A2 Process for the preparation of benzothiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 EP 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-20020077488-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, SLC5A1, TST PPARG 252/4885PPARA 375/4885PPARD 396/4885
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, TST, SLC5A1 PPARG 677/4885PPARA 1335/4885PPARD 1114/4885

“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.