SCHEMBL6002512

SCHEMBL6002512

CCOC(C)(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARA Q07869 5/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGS2 P35354 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARD Q03181 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
SCHEMBL6003901 0.89 PPARA (0.52) PPARGPPARAALDH1A1PTGS2MAPT
SCHEMBL6002497 0.86 PPARA (0.62) PPARGPPARAPPARD
SCHEMBL5100515 0.82 MAPT (0.53) PPARGPPARAALDH1A1MEN1KMT2A
Tert-Butylamine SCHEMBL6277645 0.77 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL7107216 0.77 TSHR (0.48) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL6003664 0.76 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL7252703 0.76 PPARA (0.57) PPARGPPARAHDAC6PPARD
SCHEMBL5100738 0.76 MAPT (0.45) PPARGPPARAALDH1A1KMT2AMAPT
SCHEMBL7655631 0.75 PPARG (0.54) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL6004280 0.74 PPARA (0.57) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002537390-A 2002-11-05 JP claimed
US-6440961-B1 Tricyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-08-27 US claimed
US-20020077320-A1 Novel tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY- CHEMINOR, INC. 2002-06-20 US claimed
EP-1155006-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Dr. Reddy's Research Foundation (IN) 2001-11-21 EP claimed
CN-1280575-A Novel tricyclic compounds and their use as medicaments, process for their preparation and pharmaceutical compositions containing them REDDY CHEMINOR INC (IN) 2001-01-17 CN claimed
EP-1049684-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-08 EP claimed
WO-2000050414-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM DR.REDDY'S RESEARCH FOUNDATION (IN) 2000-08-31 WO claimed
WO-1999019313-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-22 WO claimed
US-7119198-B2 Tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-10-10 US disclosed
US-20060148793-A1 Novel tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them REDDYS'S RESEARCH FOUNDATION 2006-07-06 US disclosed
US-6939988-B1 Tricyclic compounds and their use in medicine process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-09-06 US disclosed
US-6608194-B1 Hypolipidemic, antihyperglycemic, antiobesity and hypocholes-terolemic agents DR. REDDY'S LABORATORIES LIMITED (IN) 2003-08-19 US disclosed
US-6440961-B1 Tricyclic compounds and their use in medicine: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-08-27 US disclosed
US-20020077320-A1 Novel tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY- CHEMINOR, INC. 2002-06-20 US disclosed
EP-1155006-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Dr. Reddy's Research Foundation (IN) 2001-11-21 EP disclosed
EP-1049684-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-08 EP disclosed
WO-2000050414-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM DR.REDDY'S RESEARCH FOUNDATION (IN) 2000-08-31 WO disclosed
WO-1999019313-A1 NOVEL TRICYCLIC COMPOUNDS AND THEIR USE IN MEDICINE; PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-22 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-20020077320-A1 Novel tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them LIPC, GPR119, CPT1A PPARG 102/4885PPARA 281/4885ALDH1A1 978/4885
US-20060148793-A1 Novel tricyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them LIPC, GPR119, CPT1A PPARG 73/4885PPARA 209/4885ALDH1A1 992/4885

“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.