SCHEMBL4826451

SCHEMBL4826451

CC(C)(CC(=O)C(=O)O)c1cc(F)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.39
FEN1 P39748 2/20 0.39
NR3C1 P04150 8/20 0.36
NR3C2 P08235 7/20 0.36
TBXA2R P21731 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
CLCN2 P51788 1/20 0.34
SLC6A3 Q01959 3/20 0.34
PGR P06401 2/20 0.34

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
SCHEMBL5642724 0.83 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL5643364 0.82 NR3C2 (0.38) ERCC5FEN1NR3C1NR3C2
SCHEMBL27576203 0.79 IDO1 (0.35) NR3C1NR3C2
SCHEMBL3889197 0.79 NR3C2 (0.53) NR3C1NR3C2PGR
SCHEMBL20535148 0.79 PTGFR (0.43) NR3C1NR3C2TBXA2RANO1
SCHEMBL4823384 0.78 FEN1 (0.45) ERCC5FEN1
SCHEMBL332047 0.74 ALDH1A1 (0.39) ERCC5FEN1
SCHEMBL5643335 0.72 KCNN4 (0.47)
SCHEMBL803635 0.70 PTGS1 (0.39) NR3C1NR3C2PGR
SCHEMBL379397 0.70 NR3C1 (0.47) NR3C1NR3C2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1659144-B Quinoline and isoquinoline derivatives, process for their preparation and their use as inflammation inhibitors SCHERING AG 2010-09-08 CN disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
CN-1915231-A Use of nonsteroidal in preparing drug of antiinflammatory agents SCHERING AG (DE) 2007-02-21 CN disclosed
US-7166592-B2 Antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-01-23 US disclosed
US-7129270-B2 Nonsteroidal antiinflammatory agents Schėring AG (DE) 2006-10-31 US disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20060040933-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN 2006-02-23 US disclosed
CN-1659144-A Quinoline and isoquinoline derivatives, process for their preparation and their use as inflammation inhibitors SCHERING AG (DE) 2005-08-24 CN disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040254249-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN (DE) 2004-12-16 US disclosed
US-6777409-B2 FOR THERAPY OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT PATENTS (DE) 2004-08-17 US disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed
CN-1444570-A Non-steroidal anti-inflammatory drugs SCHERING AG (DE) 2003-09-24 CN disclosed
EP-1309571-A1 NON-STEROIDAL INFLAMMATION INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-14 EP disclosed
US-20020077356-A1 Nonsteroidal antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
WO-2002010143-A1 NON-STEROIDAL INFLAMMATION INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 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 (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-20020077356-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGES2, PTGES ERCC5 4307/4885FEN1 1195/4885NR3C1 98/4885
US-20060040933-A1 Nonsteroidal antiinflammatory agents PTGES, PTGES2, PTGS1 ERCC5 4005/4885FEN1 1587/4885NR3C1 150/4885
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ERCC5 3789/4885FEN1 4331/4885NR3C1 2380/4885
US-20040254249-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES2 ERCC5 4272/4885FEN1 1059/4885NR3C1 135/4885

“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.