SCHEMBL4083722

SCHEMBL4083722

CCOC(=O)[C@H](Cc1ccc(NCCCc2ccc(OS(C)(=O)=O)cc2)cc1)OC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARG P37231 8/20 0.48
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
FFAR1 O14842 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5659245 1.00 PPARA (0.48) PPARAPPARGGLAKMT2AMAPT
SCHEMBL4073415 0.92 PPARA (0.56) PPARAPPARG
SCHEMBL4076344 0.92 PPARA (0.56) PPARAPPARG
SCHEMBL4076448 0.90 PPARA (0.47) PPARAPPARGGLAKMT2AEPHX2
SCHEMBL4795129 0.89 MTNR1A (0.43) PPARAPPARGFFAR1
SCHEMBL4073135 0.89 MTNR1A (0.43) PPARAPPARGFFAR1
SCHEMBL4075619 0.89 PPARA (0.53) PPARAPPARGFFAR1
SCHEMBL4074518 0.89 PPARA (0.53) PPARAPPARGFFAR1
Water SCHEMBL5158847 0.88 PPARA (0.53) PPARAPPARGFFAR1
SCHEMBL4080386 0.85 PPARA (0.58) PPARAPPARGGLAKMT2AMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
EP-1753716-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE Dr. Reddy's Laboratories Ltd. (IN) 2007-02-21 EP disclosed
WO-2006001795-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE DR. REDDY'S LABORATORIES LIMITED (IN) 2006-01-05 WO disclosed
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative DR. REDDY'S LABORATORIES LIMITED 2005-12-15 US disclosed
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 US disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 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 (3 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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 PPARA 182/4885PPARG 172/4885GLA 741/4885
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative SRM, PKD1, CA2 PPARA 640/4885PPARG 1846/4885GLA 3208/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 PPARA 179/4885PPARG 169/4885GLA 671/4885

“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.