SCHEMBL1492536

SCHEMBL1492536

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.48
NR3C2 P08235 10/20 0.48
PGR P06401 9/20 0.48
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PARP1 P09874 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL1635036 0.86 PARP1 (0.48) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL1634226 0.86 NR3C1 (0.48) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL1633800 0.85 NR3C1 (0.48) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5776633 0.84 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL4154304 0.83 PTGS1 (0.38) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5523272 0.82 NR3C1 (0.51) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5777309 0.82 NR3C1 (0.52) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5780728 0.81 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL1493954 0.80 NR3C1 (0.52) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL4165352 0.79 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
EP-2300472-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2011-03-30 EP disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009149139-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 WO disclosed
WO-2009149139-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 WO disclosed
US-7256300-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
US-7256300-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
US-7256300-B2 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
WO-2005100335-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED OXIRANES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
US-20050234250-A1 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 US disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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 (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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 95/4885
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 187/4885
US-20050234250-A1 Stereoselective synthesis of certain trifluoromethyl-substituted alcohols NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 414/4885

“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.