SCHEMBL977500

SCHEMBL977500

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PPARA Q07869 7/20 0.47
PPARG P37231 3/20 0.47
FABP2 P12104 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 5/20 0.46
LMNA P02545 3/20 0.46
ABCB11 O95342 2/20 0.46
HTR2A P28223 2/20 0.46
PMP22 Q01453 2/20 0.46
CYP2C9 P11712 2/20 0.46
BLM P54132 2/20 0.46

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
SCHEMBL3585884 0.85 PPARA (0.48) PPARAPPARGFABP2SLC22A12KMT2A
SCHEMBL18804484 0.84 PPARA (0.46) PPARAPPARGFABP2SLC22A12KMT2A
SCHEMBL2826124 0.83 CA1 (0.53) CA1CA2PPARAPPARGFABP2
SCHEMBL6081148 0.82 MEN1 (0.49) PPARAPPARGFABP2SLC22A12KMT2A
SCHEMBL1304300 0.82 PPARA (0.67) CA1CA2PPARAPPARGFABP2
SCHEMBL322440 0.81 CA1 (0.59) CA1CA2PPARAPPARGFABP2
SCHEMBL2436622 0.81 AKR1C3 (0.50) PPARAPPARGKMT2ACYP2C9NR4A2
SCHEMBL23903398 0.81 PPARA (0.66) PPARAPPARGFABP2SLC22A12KMT2A
SCHEMBL12426828 0.81 PPARA (0.45) PPARAPPARGFABP2SLC22A12KMT2A
SCHEMBL5727051 0.81 PPARA (0.45) PPARAPPARGFABP2SLC22A12KMT2A

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-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
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
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO 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

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 CA1 3281/4885CA2 1038/4885PPARA 25/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 CA1 3164/4885CA2 913/4885PPARA 19/4885
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 CA1 3164/4885CA2 913/4885PPARA 19/4885
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG CA1 4854/4885CA2 4766/4885PPARA 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.