SCHEMBL5992779

SCHEMBL5992779

CCOC(=O)C(C#N)Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.62
PPARG P37231 6/20 0.62
PPARD Q03181 2/20 0.43
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACACB O00763 2/20 0.38
CTSC P53634 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6813546 0.92 PPARA (0.50) PPARAPPARGL3MBTL1ACACBCTSC
SCHEMBL5991846 0.88 PPARA (0.65) PPARAPPARGPPARDFFAR1LMNA
SCHEMBL4755505 0.82 MEN1 (0.45) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL5999342 0.82 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL5365635 0.82 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL5994086 0.82 PPARA (0.81) PPARAPPARGPPARD
SCHEMBL947174 0.81 FFAR1 (0.55) PPARAPPARGPPARDFFAR1LMNA
SCHEMBL7238281 0.80 PPARA (0.68) PPARAPPARGPPARDFFAR1LMNA
SCHEMBL4755482 0.80 PPARG (0.47) PPARAPPARGPPARDLMNAL3MBTL1
SCHEMBL6817241 0.80 PSMB5 (0.43) PPARAPPARGACACBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6630509-B2 Pharmaceutical medication associated with insulin resistance; patient with prophylaxis conditions having reduced sensitivity to insulin ASTRAZENECA AB (SE) 2003-10-07 US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-20030018207-A1 Phenalkyloxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-01-23 US disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 PPARA 11/4885PPARG 22/4885PPARD 8/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 PPARA 11/4885PPARG 22/4885PPARD 8/4885
US-20030018207-A1 Phenalkyloxy-phenyl derivatives GPR119, INSR, IAPP PPARA 74/4885PPARG 47/4885PPARD 60/4885

“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.