SCHEMBL980066

SCHEMBL980066

COC(=O)Cc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
MMP9 P14780 1/20 0.49
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
LIPE Q05469 1/20 0.45
HSP90AB1 P08238 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
KLK7 P49862 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15685044 0.85 CYP4F2 (0.53) CYP4F2CYP4A11MMP9ALDH1A1NPC1
SCHEMBL979826 0.83 KLK1 (0.51) ALDH1A1HTTGAAPPARGPPARA
SCHEMBL979293 0.82 KDM4E (0.49) ALDH1A1HTTGAAPPARGPPARA
SCHEMBL6296930 0.82 CYP4F2 (0.54) CYP4F2CYP4A11MMP9ALDH1A1NPC1
SCHEMBL4113212 0.81 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL10766654 0.81 PPARA (0.42) MMP9ALDH1A1HTTPPARGPPARA
SCHEMBL25380886 0.80 ALDH1A1 (0.49) CYP4F2CYP4A11MMP9ALDH1A1NPC1
SCHEMBL313139 0.80 HTT (0.69) CYP4F2CYP4A11ALDH1A1NPC1HTT
SCHEMBL31502432 0.79 CYP4F2 (0.54) CYP4F2CYP4A11MMP9ALDH1A1NPC1
SCHEMBL11566747 0.79 MMP9 (0.62) CYP4F2CYP4A11MMP9ALDH1A1NPC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369471-A A kind of preparation method of the chloro- α-of optical activity R-4- (3- 4-trifluoromethylphenopendant) phenylacetic acid 石家庄度恩医药科技有限公司 2019-02-22 CN claimed
CN-109369471-A A kind of preparation method of the chloro- α-of optical activity R-4- (3- 4-trifluoromethylphenopendant) phenylacetic acid 石家庄度恩医药科技有限公司 2019-02-22 CN disclosed
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
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-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-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-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
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

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 CYP4F2 145/4885CYP4A11 22/4885MMP9 2689/4885
US-20110021534-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE TPMT, FABP2, PTGES2 CYP4F2 1627/4885CYP4A11 306/4885MMP9 2564/4885
US-20140303175-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 CYP4F2 2202/4885CYP4A11 622/4885MMP9 2388/4885
US-20110166157-A1 2-Substituted-3-Phenylpropionic Acid Derivatives and Their Use in the Treatment of Inflammatory Bowel Disease TPMT, FABP2, PTGES3 CYP4F2 2202/4885CYP4A11 622/4885MMP9 2388/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 CYP4F2 136/4885CYP4A11 21/4885MMP9 2781/4885

“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.