SCHEMBL979293

SCHEMBL979293

CS(=O)(=O)Oc1ccc(CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PTGS1 P23219 2/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
SRD5A2 P31213 2/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA5A P35218 1/20 0.46
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 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
SCHEMBL979826 0.96 KLK1 (0.51) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL10766654 0.84 PPARA (0.42) POLBPPARAPPARGALDH1A1HTT
SCHEMBL7898011 0.83 CA5A (0.55) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL980066 0.82 CYP4F2 (0.54) PPARAPPARGALDH1A1GAAHTT
SCHEMBL4074491 0.82 FFAR1 (0.57) CA2SRD5A2PPARAPPARGALDH1A1
SCHEMBL24692740 0.81 CA2 (0.48) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL4461203 0.80 CA2 (0.47) KDM4EPOLBPTGS1AKR1C3AKR1C2
SCHEMBL978183 0.79 PPARA (0.46) KDM4ECA2CA5APPARAPPARG
SCHEMBL3838706 0.78 STS (0.63) KDM4ECA2PPARAPPARGALDH1A1
SCHEMBL15140245 0.78 CA2 (0.53) KDM4EPOLBPTGS1AKR1C3AKR1C2

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 26 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
EP-1731587-B1 Process for the preparation of tolanes MERCK PATENT GMBH (DE) 2013-01-23 EP disclosed
EP-1731587-B1 Process for the preparation of tolanes MERCK PATENT GMBH (DE) 2013-01-23 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
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-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
EP-1731587-A1 Tolanes, process for their preparation and use thereof MERCK PATENT GmbH (DE) 2006-12-13 EP disclosed
CN-1697828-A New compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2005-11-16 CN disclosed
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 US disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO disclosed
WO-1981003171-A1 AROMATIC DERIVATIVES OF ACETIC ACID ALPHA-SUBSTITUTED BY A SULFO GROUP AND PRODUCTION METHOD THEREOF HOECHST FRANCE (FR) 1981-11-12 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 (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-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 KDM4E 3505/4885POLB 3099/4885PTGS1 2630/4885
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE TPMT, FABP2, PTGES2 KDM4E 841/4885POLB 2926/4885PTGS1 57/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 KDM4E 1332/4885POLB 2688/4885PTGS1 53/4885
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 KDM4E 1332/4885POLB 2688/4885PTGS1 53/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 KDM4E 3642/4885POLB 2825/4885PTGS1 3284/4885

“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.