SCHEMBL450117

SCHEMBL450117

CC(C)(CC(O)(Cc1cc2cc(-c3ccccc3)ccc2[nH]1)C(F)(F)F)c1cc(F)cc2c1OCC2

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.81
NR3C2 P08235 19/20 0.81
PGR P06401 16/20 0.81
CYP3A4 P08684 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL5798514 0.92 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL5801820 0.91 NR3C1 (0.72) NR3C1NR3C2PGRCYP3A4
SCHEMBL5798210 0.91 NR3C1 (0.75) NR3C1NR3C2PGR
SCHEMBL27774884 0.90 NR3C1 (0.65) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL5823040 0.90 NR3C1 (0.70) NR3C1NR3C2PGR
SCHEMBL291700 0.90 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL5775428 0.90 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL5797139 0.88 NR3C1 (0.72) NR3C1NR3C2PGRCYP3A4
SCHEMBL293334 0.86 NR3C1 (0.78) NR3C1NR3C2PGR
SCHEMBL5802829 0.84 NR3C1 (0.74) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US claimed
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
EP-2364707-B1 Compositions and methods for treating, controlling, reducing, or ameliorating infections and sequelae thereof BAUSCH & LOMB (US) 2013-04-03 EP disclosed
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN SOLTA MEDICAL IRELAND LIMITED (IE) 2012-12-13 US disclosed
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE SOLTA MEDICAL, INC. 2012-03-15 US disclosed
CN-101553214-A Compositions and methods for treating, controlling, reducing, ameliorating, or preventing allergy BAUSCH & LOMB (US) 2009-10-07 CN disclosed
CN-101528208-A Compositions and methods for treating or preventing glaucoma or its progression BAUSCH & LOMB (US) 2009-09-09 CN disclosed
CN-101522196-A Treatment of infections and their sequelae with combined isolated glucocorticoid receptor agonists and anti-infective agents BAUSCH & LOMB (US) 2009-09-02 CN disclosed
CN-101522187-A Compositions and methods for treating, reducing, ameliorating, or alleviating posterior-segment ophthalmic diseases BAUSCH & LOMB (US) 2009-09-02 CN disclosed
CN-101484187-A Composition comprising dissociated glucocorticoid receptor agonist and immunosuppressant for treating dry eye BAUCH & LOMB INC (US) 2009-07-15 CN disclosed
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy BAUSCH & LOMB INCORPORATED 2008-03-13 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
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 (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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 95/4885
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE PTGIR, NR3C1, PTGDR NR3C1 2/4885NR3C2 11/4885PGR 272/4885
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN PTGIR, MC2R, NR3C1 NR3C1 3/4885NR3C2 18/4885PGR 220/4885
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 NR3C1 18/4885NR3C2 87/4885PGR 123/4885

“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.