SCHEMBL1716294

SCHEMBL1716294

C#CC[C@@](O)(CC(C)(C)c1ccc(F)cc1C(=O)O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.41
CYP3A4 P08684 4/20 0.40
NR3C2 P08235 11/20 0.40
IL6 P05231 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 3/20 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
SCHEMBL1716295 1.00 NR3C1 (0.41) NR3C1CYP3A4NR3C2IL6CYP2D6
SCHEMBL1716293 1.00 NR3C1 (0.41) NR3C1CYP3A4NR3C2IL6CYP2D6
SCHEMBL1492598 0.89 NR3C1 (0.50) NR3C1CYP3A4NR3C2IL6CYP2D6
SCHEMBL1716493 0.89 NR3C1 (0.50) NR3C1CYP3A4NR3C2IL6CYP2D6
SCHEMBL1492551 0.89 NR3C1 (0.50) NR3C1CYP3A4NR3C2IL6CYP2D6
SCHEMBL1492589 0.85 NR3C1 (0.38) NR3C1CYP3A4NR3C2CYP2C9CYP2C19
SCHEMBL1716235 0.83 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL1492579 0.83 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL1716234 0.83 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL1492540 0.82 NR3C1 (0.46) NR3C1CYP3A4NR3C2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 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 (1 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-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R NR3C1 1/4885CYP3A4 360/4885NR3C2 2/4885

“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.