SCHEMBL6281699

SCHEMBL6281699

CCOC(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)C(=O)Oc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.54
PPARA Q07869 17/20 0.54
PPARD Q03181 3/20 0.44
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6275936 0.88 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL6003721 0.85 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL6003664 0.83 PPARG (0.76) PPARGPPARAPPARD
Imidazole SCHEMBL6281695 0.81 PPARG (0.63) PPARGPPARAPPARD
Piperazine SCHEMBL6281879 0.80 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL6281883 0.80 PPARG (0.55) PPARGPPARAPPARD
Tert-Butylamine SCHEMBL6277645 0.79 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL6281003 0.79 PPARG (0.58) PPARGPPARAPPARD
Benzylamine SCHEMBL6280999 0.78 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL6275472 0.77 PPARG (0.66) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897199-B2 Pharmaceutically acceptable salts of phenoxazine and phenothiazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-24 US claimed
US-20020169146-A1 Pharmaceutically acceptable salts of tricyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 US claimed
WO-2002062772-A1 SALTS OF 3-4(4-(2-PHENOXAZIN- OR PHENOTHIAZIN-10-YL)ALKOXY)PHENYL)-2-ALKOXYPROPANOIC ACID DERIVATIVES WITH PPAR ACTIVITY FOR THE TREATMENT OF HYPERLIPIMEDIA AND TYPE II DIABETES DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-08-15 WO claimed
US-6897199-B2 Pharmaceutically acceptable salts of phenoxazine and phenothiazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-24 US disclosed
US-20020169146-A1 Pharmaceutically acceptable salts of tricyclic compounds DR. REDDY'S LABORATORIES LTD. 2002-11-14 US disclosed
WO-2002062772-A1 SALTS OF 3-4(4-(2-PHENOXAZIN- OR PHENOTHIAZIN-10-YL)ALKOXY)PHENYL)-2-ALKOXYPROPANOIC ACID DERIVATIVES WITH PPAR ACTIVITY FOR THE TREATMENT OF HYPERLIPIMEDIA AND TYPE II DIABETES DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-08-15 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 (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-20020169146-A1 Pharmaceutically acceptable salts of tricyclic compounds CYP3A43, ABCG2, SLCO1B3 PPARG 333/4885PPARA 1364/4885PPARD 513/4885

“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.