SCHEMBL980097

SCHEMBL980097

CS(=O)(=O)Oc1ccc(CCSC(=O)c2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 1.00
PPARG P37231 16/20 0.76
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5526960 0.87 PPARA (0.84) PPARAPPARG
SCHEMBL3941494 0.87 PPARA (0.84) PPARAPPARG
SCHEMBL3946462 0.87 PPARA (0.84) PPARAPPARG
SCHEMBL979780 0.87 PPARA (1.00) PPARAPPARG
SCHEMBL978970 0.87 PPARA (1.00) PPARAPPARG
SCHEMBL979863 0.86 PPARA (0.76) PPARAPPARGTSHRKMT2A
SCHEMBL979957 0.83 PPARA (1.00) PPARAPPARG
SCHEMBL978292 0.83 PPARA (1.00) PPARAPPARG
SCHEMBL979613 0.83 PPARA (1.00) PPARAPPARG
SCHEMBL978419 0.81 PPARA (1.00) PPARAPPARG

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 16 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 claimed
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 claimed
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 claimed
EP-2125711-B1 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2013-11-06 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
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

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-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE TPMT, FABP2, PTGES2 PPARA 25/4885PPARG 35/4885TSHR 3970/4885
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 25/4885TSHR 4004/4885
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 25/4885TSHR 4004/4885

“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.