SCHEMBL977406

SCHEMBL977406

CCOC(Cc1ccc(O)c(C)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.56
PPARG P37231 15/20 0.50
PPARD Q03181 8/20 0.49

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
SCHEMBL978301 0.88 ESR1 (0.46) PPARAPPARGPPARD
SCHEMBL978598 0.83 PPARG (0.48) PPARAPPARGPPARD
SCHEMBL978773 0.80 SLC7A5 (0.62) PPARAPPARGPPARD
SCHEMBL543815 0.80 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL3233074 0.80 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL5543269 0.80 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL17680422 0.80 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL5377403 0.79 ESR1 (0.46) PPARG
SCHEMBL6819008 0.78 PPARG (0.53) PPARAPPARGPPARD
SCHEMBL5274789 0.77 ESR1 (0.50) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181181-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2015-11-10 US disclosed
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2014-10-09 US disclosed
US-8785681-B2 2-substituted-3-phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel disease ALBIREO AB (SE) 2014-07-22 US disclosed
EP-2125711-B1 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2013-11-06 EP disclosed
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease ALBIREO AB (SE) 2011-07-07 US disclosed
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2011-01-27 US disclosed
EP-2125711-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE Albireo Ab (SE) 2009-12-02 EP disclosed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 WO disclosed
US-6750252-B2 FOR USE IN CLINICAL CONDITIONS ASSOCIATED WITH INSULIN RESISTANCE ASTRAZENECA AB (SE) 2004-06-15 US disclosed
US-20030149104-A1 Tri-substituted phenyl derivatives and analogues ASTRAZENECA AB (SE) 2003-08-07 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 (4 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-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE TPMT, FABP2, PTGES2 PPARA 25/4885PPARG 35/4885PPARD 60/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 PPARA 19/4885PPARG 25/4885PPARD 44/4885
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 PPARA 19/4885PPARG 25/4885PPARD 44/4885
US-20030149104-A1 Tri-substituted phenyl derivatives and analogues GPR119, IAPP, INSR PPARA 87/4885PPARG 46/4885PPARD 54/4885

“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.