SCHEMBL3743468

SCHEMBL3743468

Cc1oc(-c2ccc(F)cc2)nc1CCOc1ccc(CC2SC(=O)NC2=O)c2sccc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.55
PPARA Q07869 20/20 0.55
PPARD Q03181 6/20 0.55

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
SCHEMBL3745188 0.94 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL3730093 0.93 PPARG (0.56) PPARGPPARAPPARD
Edaglitazone SCHEMBL29365673 0.93 PPARG (0.64) PPARGPPARAPPARD
Edaglitazone SCHEMBL2642937 0.93 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL5049259 0.92 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL7626097 0.92 PPARG (0.54) PPARGPPARAPPARD
Edaglitazone SCHEMBL22607966 0.92 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL13524846 0.90 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL7619881 0.88 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL2643279 0.87 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176787-A1 Thiazolidinediones alone or in combination with other therapeutic agents for inhibiting or reducing tumour growth F. HOFFMANN-LA ROCHE AG (CH) 2005-08-11 US claimed
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-19 US disclosed
WO-2008119070-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS TRUSTEES OF BOSTON UNIVERSITY (US) 2008-10-02 WO disclosed
US-7323481-B2 Thiazolidinediones alone or in combination with other therapeutic agents for inhibiting or reducing tumour growth HOFFMANN-LA ROCHE INC. (US) 2008-01-29 US disclosed
US-20050176787-A1 Thiazolidinediones alone or in combination with other therapeutic agents for inhibiting or reducing tumour growth F. HOFFMANN-LA ROCHE AG (CH) 2005-08-11 US disclosed
EP-1392296-A1 THIAZOLIDINEDIONES ALONE OR IN CONBINATION WITH OTHER THERAPEUTIC AGENTS FOR INHIBITING OR REDUCING TUMOUR GROWTH F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP disclosed
WO-2002080913-A1 THIAZOLIDINEDIONES ALONE OR IN COMBINATION WITH OTHER THERAPEUTIC AGENTS FOR INHIBITING OR REDUCING TUMOUR GROWTH F. HOFFMANN-LA ROCHE AG (CH) 2002-10-17 WO 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-20050176787-A1 Thiazolidinediones alone or in combination with other therapeutic agents for inhibiting or reducing tumour growth PPARD, PPARG, PPARA PPARG 2/4885PPARA 3/4885PPARD 1/4885
US-20100210692-A1 METHODS OF TREATMENT USING SIRT MODULATORS AND COMPOSITIONS CONTAINING SIRT1 MODULATORS SIRT1, SIRT2, SIRT3 PPARG 105/4885PPARA 149/4885PPARD 263/4885

“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.