SCHEMBL980257

SCHEMBL980257

CS(=O)(=O)Oc1ccc(CCS)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.44
PPARG P37231 2/20 0.44
MMP2 P08253 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP14 P50281 2/20 0.41
MMP1 P03956 1/20 0.41
BMP1 P13497 2/20 0.41
STS P08842 1/20 0.41
KDM4E B2RXH2 3/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
GAA P10253 2/20 0.38
CA1 P00915 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL4303649 0.84 PPARA (0.47) PPARAPPARGBMP1ALDH1A1
SCHEMBL5994202 0.81 PPARA (0.49) PPARAPPARGMMP2MMP7MMP9
SCHEMBL5543941 0.81 PPARA (0.44) PPARAPPARGMMP2MMP7MMP9
SCHEMBL1994623 0.81 TAAR1 (0.57) PPARAPPARGSTSCA12CA2
SCHEMBL3838706 0.79 STS (0.63) PPARAPPARGMMP2MMP7MMP9
SCHEMBL3655208 0.79 CA2 (0.53) PPARAPPARGSTSKDM4EALDH1A1
SCHEMBL979920 0.79 PPARA (0.49) PPARAPPARGMMP2MMP7MMP9
SCHEMBL575589 0.78 CA2 (0.52) MMP2MMP7MMP9MMP14MMP1
SCHEMBL14646634 0.78 KDM4E (0.47) PPARAPPARGKDM4EALDH1A1CA12
SCHEMBL5542632 0.78 PPARA (0.47) PPARAPPARGMMP2MMP7MMP9

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 8 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

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 35/4885MMP2 2624/4885
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 25/4885MMP2 2852/4885
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 25/4885MMP2 2852/4885

“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.