SCHEMBL1744314

SCHEMBL1744314

Cc1cc(OCC=C(c2ccc(C#CCN3CCOCC3)cc2)c2ccc([S+](C)[O-])cc2)ccc1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.52
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
APEX1 P27695 1/20 0.42
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL1744311 1.00 PPARD (0.52) PPARDPPARAPPARGAPEX1MMP2
SCHEMBL1744313 1.00 PPARD (0.52) PPARDPPARAPPARGAPEX1MMP2
SCHEMBL1244040 0.93 PPARD (0.58) PPARDPPARAPPARGAPEX1KDM4E
SCHEMBL1744888 0.91 PPARD (0.50) PPARDPPARAPPARGAPEX1MMP2
SCHEMBL1744895 0.91 PPARD (0.50) PPARDPPARAPPARGAPEX1MMP2
SCHEMBL1744892 0.91 PPARD (0.50) PPARDPPARAPPARGAPEX1MMP2
SCHEMBL1744320 0.91 PPARD (0.56) PPARDPPARAPPARGAPEX1
SCHEMBL1744315 0.91 PPARD (0.56) PPARDPPARAPPARGAPEX1
SCHEMBL1744318 0.91 PPARD (0.56) PPARDPPARAPPARGAPEX1
SCHEMBL1744573 0.91 PPARD (0.56) PPARDPPARAPPARGAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS VTVX HOLDINGS II LLC 2021-06-24 US claimed
US-20110245244-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-10-06 US claimed
US-20090093484-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE VTVX HOLDINGS II LLC 2009-04-09 US claimed
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS VTVX HOLDINGS II LLC 2021-06-24 US disclosed
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2021-03-16 US disclosed
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC 2020-07-09 US disclosed
US-10471066-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2019-11-12 US disclosed
US-20180071304-A1 Phenoxy Acetic Acids and Phenyl Propionic Acids as PPAR Delta Agonists HIGH POINT PHARMACEUTICALS, LLC 2018-03-15 US disclosed
US-9855274-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2018-01-02 US disclosed
US-20170216303-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC 2017-08-03 US disclosed
US-9663481-B2 Phenoxy acetic acids and phenyl propionic acids as PPARδ agonists VTV THERAPEUTICS LLC (US) 2017-05-30 US disclosed
US-20140024645-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2014-01-23 US disclosed
US-8551993-B2 Phenoxy acetic acids as PPAR delta activators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-10-08 US disclosed
US-20130102610-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2013-04-25 US disclosed
US-8362016-B2 Phenyl propionic acids as PPAR delta activators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
EP-2386540-A1 Novel compounds, their preparation and use High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
US-20110245244-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-10-06 US disclosed
US-7943613-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-20090093484-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE VTVX HOLDINGS II LLC 2009-04-09 US 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 (10 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-10471066-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20090093484-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 1/4885
US-20170216303-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20180071304-A1 Phenoxy Acetic Acids and Phenyl Propionic Acids as PPAR Delta Agonists PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20110245244-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20130102610-A1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885
US-20140024645-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD PPARD 3/4885PPARA 2/4885PPARG 1/4885

“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.