SCHEMBL564457

SCHEMBL564457

CC(C)(CC(O)(C(=O)O)C(F)(F)F)c1cc(F)cc2c1OCC2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.54
NR3C2 P08235 17/20 0.54
PGR P06401 14/20 0.54
PARP1 P09874 1/20 0.44
AR P10275 1/20 0.43
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL3957430 0.87 NR3C1 (0.51) NR3C1NR3C2PGRPARP1AR
SCHEMBL4668326 0.86 NR3C1 (0.44) NR3C1NR3C2PGRPARP1AR
SCHEMBL14081376 0.84 NR3C1 (0.59) NR3C1NR3C2PGRPARP1AR
SCHEMBL563723 0.82 NR3C1 (0.62) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL3690152 0.82 NR3C1 (0.57) NR3C1NR3C2PGRPARP1AR
SCHEMBL14081359 0.82 NR3C1 (0.62) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL3953152 0.81 NR3C1 (0.54) NR3C1NR3C2PGRPARP1AR
SCHEMBL14115126 0.81 NR3C1 (0.61) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL14208907 0.80 NR3C1 (0.54) NR3C1NR3C2PGRPARP1AR
SCHEMBL13767636 0.80 NR3C1 (0.36) NR3C1NR3C2PGRPARP1AR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200354-A1 Process for the Manufacture of Non-Steroidal Anti-Inflammatory Agents and Intermediates Thereof INTENDIS GMBH (DE) 2014-07-17 US disclosed
US-20120035371-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF SCHWEIZER STEFFEN (DE) 2012-02-09 US disclosed
US-8071796-B2 Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof INTENDIS GMBH (DE) 2011-12-06 US disclosed
EP-2142503-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF Intendis GmbH (DE) 2010-01-13 EP disclosed
EP-1844039-B1 5-SUBSTITUTED QUINOLINE AND ISOQUINOLINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS ANTIPHLOGISTICS BAYER SCHERING PHARMA AG (DE) 2009-07-15 EP disclosed
US-20080274517-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-11-06 US disclosed
WO-2008128750-A2 PROCESS FOR THE MANUFACTURE FOR NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF INTENDIS GMBH (DE) 2008-10-30 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-20080274517-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF CYP2F1, CYP4A11, CYP11B1 NR3C1 74/4885NR3C2 23/4885PGR 2139/4885
US-20120035371-A1 PROCESS FOR THE MANUFACTURE OF NON-STEROIDAL ANTI-INFLAMMATORY AGENTS AND INTERMEDIATES THEREOF CYP2F1, CYP4A11, CYP11B1 NR3C1 74/4885NR3C2 23/4885PGR 2139/4885
US-20140200354-A1 Process for the Manufacture of Non-Steroidal Anti-Inflammatory Agents and Intermediates Thereof CYP2F1, CYP4A11, CYP11B1 NR3C1 71/4885NR3C2 20/4885PGR 2022/4885

“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.