SCHEMBL979752

SCHEMBL979752

CCOC(=O)C(Cc1ccc(O)c(Cc2ccccc2)c1)OCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
PPARG P37231 12/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 11/20 0.43
PPARD Q03181 3/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MMP8 P22894 1/20 0.40

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
SCHEMBL977574 0.93 SLC7A5 (0.54) SLC7A5PPARGPPARAPPARDMEN1
SCHEMBL6818678 0.90 PPARG (0.46) SLC7A5PPARGSMN1; SMN2PPARAPPARD
SCHEMBL978773 0.90 SLC7A5 (0.62) SLC7A5PPARGPPARAPPARD
SCHEMBL3541115 0.81 MMP8 (0.56) PPARGPPARAPPARDMMP8
SCHEMBL27546630 0.81 MMP8 (0.56) PPARGPPARAPPARDMMP8
SCHEMBL978598 0.81 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL978301 0.80 ESR1 (0.46) PPARGPPARAPPARD
SCHEMBL6818879 0.80 PPARG (0.43) SLC7A5PPARGSMN1; SMN2PPARAPPARD
SCHEMBL6834707 0.80 PPARG (0.56) SLC7A5PPARGPPARAPPARD
SCHEMBL3374631 0.78 PPARA (0.41) PPARGPPARAPPARD

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 13 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
EP-1237856-B1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES ASTRAZENECA AB (SE) 2004-05-12 EP disclosed
US-20030149104-A1 Tri-substituted phenyl derivatives and analogues ASTRAZENECA AB (SE) 2003-08-07 US disclosed
EP-1237856-A1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040172-A1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES ASTRAZENECA AB (SE) 2001-06-07 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 (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 SLC7A5 1431/4885PPARG 35/4885SMN1; SMN2 2740/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 SLC7A5 1124/4885PPARG 25/4885SMN1; SMN2 2799/4885
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 SLC7A5 1124/4885PPARG 25/4885SMN1; SMN2 2799/4885
US-20030149104-A1 Tri-substituted phenyl derivatives and analogues GPR119, IAPP, INSR SLC7A5 1318/4885PPARG 46/4885SMN1; SMN2 2222/4885

“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.