SCHEMBL1435567

SCHEMBL1435567

O=C(O)[C@H](CCc1ccccc1)Oc1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.57
PPARA Q07869 15/20 0.57
PTPN1 P18031 2/20 0.48

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
SCHEMBL13418735 0.93 PPARG (0.49) PPARGPPARAPTPN1
SCHEMBL12812689 0.93 PPARG (0.49) PPARGPPARAPTPN1
SCHEMBL13418733 0.92 PPARG (0.57) PPARGPPARAPTPN1
SCHEMBL12130114 0.87 PPARG (0.44) PPARGPPARA
SCHEMBL12812714 0.84 PPARA (0.44) PPARGPPARAPTPN1
SCHEMBL1342998 0.83 PPARG (0.39) PPARGPPARA
SCHEMBL4873618 0.79 PIN1 (0.50) PPARGPPARA
SCHEMBL4873628 0.79 PIN1 (0.50) PPARGPPARA
SCHEMBL4872015 0.79 PIN1 (0.50) PPARGPPARA
SCHEMBL4872018 0.79 PIN1 (0.50) PPARGPPARA

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
EP-1742927-B1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GMBH (DE) 2011-03-30 EP claimed
US-7678831-B2 Butanoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2010-03-16 US claimed
US-20080032982-A1 Butanoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-02-07 US claimed
EP-1742927-A1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GmbH (DE) 2007-01-17 EP claimed
WO-2005105764-A1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GMBH (DE) 2005-11-10 WO claimed
EP-1742927-B1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GMBH (DE) 2011-03-30 EP disclosed
EP-1742927-B1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GMBH (DE) 2011-03-30 EP disclosed
US-7678831-B2 Butanoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2010-03-16 US disclosed
US-7678831-B2 Butanoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2010-03-16 US disclosed
US-7678831-B2 Butanoic acid derivatives, processes for the preparation thereof, pharmaceutical compositions comprising them, and therapeutic applications thereof MERCK PATENT GMBH (DE) 2010-03-16 US disclosed
US-20080032982-A1 Butanoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-02-07 US disclosed
US-20080032982-A1 Butanoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-02-07 US disclosed
US-20080032982-A1 Butanoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof MERCK PATENT GMBH (DE) 2008-02-07 US disclosed
EP-1742927-A1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GmbH (DE) 2007-01-17 EP disclosed
WO-2005105764-A1 BUTANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, AND THERAPEUTIC APPLICATIONS THREREOF MERCK PATENT GMBH (DE) 2005-11-10 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-20080032982-A1 Butanoic Acid Derivatives, Processes For The Preparation Thereof, Pharmaceutical Compositions Comprising Them, And Therapeutic Applications Thereof PPARA, PPARD, PPARG PPARG 3/4885PPARA 1/4885PTPN1 3086/4885

“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.