SCHEMBL1821072

SCHEMBL1821072

COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)O)cc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.80
PPARG P37231 3/20 0.80
CYSLTR1 Q9Y271 3/20 0.80
MEN1 O00255 1/20 0.78
PTGES O14684 1/20 0.78
XPO1 O14980 1/20 0.78
SLC22A2 O15244 1/20 0.78
ABCC4 O15439 1/20 0.78
NR1I2 O75469 1/20 0.78
ABCB11 O95342 1/20 0.78
EGFR P00533 1/20 0.78
NR3C1 P04150 1/20 0.78
PGR P06401 1/20 0.78
POLB P06746 1/20 0.78
ADRA2A P08913 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
MAPT P10636 1/20 0.78
RARB P10826 1/20 0.78
CYP2C9 P11712 1/20 0.78
CNR1 P21554 1/20 0.78

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
SCHEMBL4156371 0.94 EPHX2 (0.82) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL14860949 0.94 EPHX2 (0.78) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL13801556 0.93 EPHX2 (0.76) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL21812553 0.91 PLA2G4A (0.69) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL8530543 0.91
SCHEMBL24041199 0.90 EPHX2 (0.73) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL8532769 0.89
SCHEMBL22768779 0.89 EPHX2 (0.70) EPHX2PPARGCYSLTR1
SCHEMBL4466431 0.89 CYSLTR1 (1.00) EPHX2PPARGCYSLTR1MEN1PTGES
SCHEMBL13983259 0.89 CYSLTR1 (0.85) EPHX2PPARGCYSLTR1MEN1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM THERAPEUTICS LLC 2011-03-17 US claimed
EP-2073799-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM Discovery, Inc. (US) 2009-07-01 EP claimed
WO-2008112715-A2 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS VM DISCOVERY INC. (US) 2008-09-18 WO claimed
US-20230248712-A1 METHODS AND COMPOSITIONS FOR TREATING RNA VIRAL INFECTIONS MODEL MEDICINES, INC. 2023-08-10 US disclosed
CN-113825508-A Composition for preventing or treating severe acute respiratory syndrome coronavirus 2 infection disease 新泰克生物技术有限公司 2021-12-21 CN disclosed
US-10752585-B2 Process for the preparation of Zafirlukast and analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-08-25 US disclosed
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-07-09 US disclosed
CN-108084077-B Synthetic method of zafirlukast intermediate 江汉大学 2020-04-14 CN disclosed
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 US disclosed
WO-2012107364-A1 NOVEL COMPOSITION FOR THE TREATMENT OF CYSTIC FIBROSIS SCIPHARM SÀRL (LU) 2012-08-16 WO disclosed
EP-2316468-A1 Delivery system and methods for protecting and administering dextroamphetamine Shire LLC (US) 2011-05-04 EP disclosed
EP-1490090-A4 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PHARMACEUTICALS INC (US) 2006-09-20 EP disclosed
US-7060708-B2 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. (US) 2006-06-13 US disclosed
EP-1357928-A4 A NOVEL PHARMACEUTICAL COMPOUND AND METHODS OF MAKING AND USING SAME NEW RIVER PHARMACEUTICALS INC (US) 2004-12-29 EP disclosed
EP-1490090-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS New River Pharmaceuticals Inc. (US) 2004-12-29 EP disclosed
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents NEW RIVER PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1357928-A2 A NOVEL PHARMACEUTICAL COMPOUND AND METHODS OF MAKING AND USING SAME New River Pharmaceuticals Inc. (US) 2003-11-05 EP disclosed
WO-2003079972-A2 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PARMACEUTICALS INC. (US) 2003-10-02 WO disclosed
WO-2003020200-A2 A NOVEL PHARMACEUTICAL COMPOUND AND METHODS OF MAKING AND USING SAME NEW RIVER PHARMACEUTICALS INC. (US) 2003-03-13 WO disclosed
US-5227378-A Synergistic mixture of platelet activating factor and leukotriene antagonists HOFFMANN-LA ROCHE INC. (US) 1993-07-13 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 (4 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-10752585-B2 Process for the preparation of Zafirlukast and analogs thereof CHUK, HRH2, CTSH EPHX2 4144/4885PPARG 1439/4885CYSLTR1 1961/4885
US-20110065703-A1 NOVEL AGENTS OF CALCIUM ION CHANNEL MODULATORS CACNA1G, CACNA1C, CACNA1B EPHX2 3150/4885PPARG 3440/4885CYSLTR1 293/4885
US-20040063628-A1 Active agent delivery systems and methods for protecting and administering active agents HDGF, CTSA, IAPP EPHX2 1665/4885PPARG 2315/4885CYSLTR1 1155/4885
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF CHUK, CTSH, HRH2 EPHX2 4367/4885PPARG 1592/4885CYSLTR1 2277/4885

“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.