SCHEMBL449354

SCHEMBL449354

Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(=O)c3ccccc3)ncc2[nH]1)C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.79
CYP3A4 P08684 10/20 0.79
PGR P06401 5/20 0.79
KCNH2 Q12809 1/20 0.73
NR3C2 P08235 5/20 0.68

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
SCHEMBL291218 0.88 NR3C1 (0.75) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL300222 0.86 NR3C1 (0.65) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL6384755 0.84 NR3C1 (1.00) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL5801885 0.84 NR3C1 (1.00) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL6384458 0.83 NR3C1 (0.81) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL5799890 0.82 NR3C1 (0.82) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL291699 0.82 NR3C1 (0.82) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL15756226 0.82 NR3C1 (1.00) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL291131 0.82 NR3C1 (0.75) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL6387357 0.81 NR3C1 (1.00) NR3C1CYP3A4PGRKCNH2NR3C2

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 12 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
US-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy WP PRISM INC. (N/K/A BAUSCH & LOMB HOLDINGS INC.) 2011-05-05 US disclosed
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy BAUSCH & LOMB INCORPORATED 2008-03-13 US disclosed
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof VRX HOLDCO LLC 2008-03-06 US disclosed
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF BAUSCH HEALTH COMPANIES INC. (CA) 2008-02-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 1/4885CYP3A4 435/4885PGR 95/4885
US-20080033008-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFECTIONS AND SEQUELAE THEREOF NR3C1, GNRHR, GSR NR3C1 1/4885CYP3A4 802/4885PGR 39/4885
US-20110105559-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 NR3C1 18/4885CYP3A4 1344/4885PGR 123/4885
US-20080058373-A1 Compositions and Methods for Treating or Preventing Glaucoma or Progression Thereof PTGIR, PTGDR, NR3C1 NR3C1 3/4885CYP3A4 1363/4885PGR 195/4885
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 2/4885CYP3A4 1450/4885PGR 272/4885
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN PTGIR, MC2R, NR3C1 NR3C1 3/4885CYP3A4 831/4885PGR 220/4885
US-20080064721-A1 Compositions and Methods for Treating, Controlling, Reducing, Ameliorating, or Preventing Allergy CYSLTR1, LTB4R, CYSLTR2 NR3C1 18/4885CYP3A4 1344/4885PGR 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.