SCHEMBL1716448

SCHEMBL1716448

CC(C)(C[C@@](O)(CC#C[Si](C)(C)C)C(F)(F)F)c1ccccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.46
CYP3A4 P08684 11/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
IL6 P05231 1/20 0.35
CYP2D6 P10635 1/20 0.35
PGR P06401 5/20 0.33
NR3C2 P08235 5/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL1716452 1.00 NR3C1 (0.46) NR3C1CYP3A4CYP2C9CYP2C19IL6
SCHEMBL1716200 0.84 NR3C1 (0.48) NR3C1CYP3A4CYP2C9CYP2C19IL6
SCHEMBL1716201 0.84 NR3C1 (0.48) NR3C1CYP3A4CYP2C9CYP2C19IL6
SCHEMBL1492601 0.84 NR3C1 (0.48) NR3C1CYP3A4CYP2C9CYP2C19IL6
SCHEMBL1492563 0.73 NR3C1 (0.39) NR3C1CYP3A4CYP2C9CYP2C19AURKA
SCHEMBL1492589 0.73 NR3C1 (0.38) NR3C1CYP3A4CYP2C9CYP2C19PGR
SCHEMBL1716254 0.71 NR3C1 (0.44) NR3C1CYP3A4CYP2C9CYP2C19IL6
SCHEMBL1492587 0.71 NR3C1 (0.50) NR3C1CYP3A4CYP2C9CYP2C19IL6
SCHEMBL1492606 0.71 NR3C1 (0.42) NR3C1CYP3A4CYP2C9CYP2C19IL6
SCHEMBL1492598 0.71 NR3C1 (0.50) NR3C1CYP3A4CYP2C9CYP2C19IL6

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 5 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
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
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 360/4885CYP2C9 467/4885

“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.