SCHEMBL979920

SCHEMBL979920

CS(=O)(=O)OCCc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.49
PPARG P37231 3/20 0.49
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
MMP9 P14780 3/20 0.41
MMP2 P08253 2/20 0.41
MMP7 P09237 2/20 0.41
MMP14 P50281 2/20 0.41
MMP1 P03956 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
STS P08842 1/20 0.40
PPARD Q03181 2/20 0.40
APLNR P35414 1/20 0.40
MMP3 P08254 1/20 0.38

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
SCHEMBL13649252 0.89 KDM4E (0.47) PPARAPPARGMMP9MMP2MMP7
SCHEMBL3258334 0.88 CA2 (0.50) PPARAPPARGCA1CA2CA9
SCHEMBL1845745 0.85 APLNR (0.56) CA1CA2CA9ALDH1A1APLNR
SCHEMBL13847882 0.84 CA1 (0.41) PPARAPPARGCA1CA2CA9
SCHEMBL24054628 0.82 APLNR (0.41) PPARAPPARGCA1CA2CA9
SCHEMBL9016830 0.82 NQO1 (0.48) PPARAPPARGCA1CA2CA9
SCHEMBL6991225 0.81 CA1 (0.48) CA1CA2CA9MMP9KDM4E
SCHEMBL17891745 0.81 CA2 (0.44) PPARAPPARGCA1CA2CA9
SCHEMBL13527822 0.81 CA2 (0.50) CA1CA2CA9MMP9KDM4E
SCHEMBL7420399 0.81 CA2 (0.47) PPARAPPARGCA1CA2CA9

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 44 patents — showing the first 20. 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
CN-101790512-A 2 -substituted- 3 -phenylpropionic acid derivatives and their use in the treatment of inflammatory bowel ALBIREO AB 2010-07-28 CN disclosed
US-20100022589-A1 PYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE FOR INHIBITING 11-BETA-HYDROXYSTEROID DEHYDROGENASE MCCOULL WILLIAM 2010-01-28 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
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-20030069308-A1 Comminuted form of(s)-2-ethoxy -3-[4-(2-{4-methanesulfonyloxyphenyl}ethoxy)phenyl]propanoic acid ASTRAZENECA AB (SE) 2003-04-10 US disclosed
EP-1237854-A1 COMMINUTED FORM OF (S)-2-ETHOXY -3- 4-(2- 4-METHANESULFONYLOXYPHENYL ETHOXY) PHENYL] PROPANOIC ACID AstraZeneca AB (SE) 2002-09-11 EP disclosed
EP-1237856-A1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
WO-2001040172-A1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
WO-2001040169-A1 COMMINUTED FORM OF (S)-2-ETHOXY -3-[4-(2- {4-METHANESULFONYLOXYPHENYL} ETHOXY) PHENYL] PROPANOIC ACID ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed
US-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 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 (5 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 35/4885CA1 3281/4885
US-20030069308-A1 Comminuted form of(s)-2-ethoxy -3-[4-(2-{4-methanesulfonyloxyphenyl}ethoxy)phenyl]propanoic acid PCSK7, INSR, CEL PPARA 19/4885PPARG 250/4885CA1 3645/4885
US-20100022589-A1 PYRIDINE-3-CARBOXAMIDE COMPOUNDS AND THEIR USE FOR INHIBITING 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD3B2 PPARA 718/4885PPARG 707/4885CA1 1705/4885
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 25/4885CA1 3164/4885
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 25/4885CA1 3164/4885

“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.