SCHEMBL1492580

SCHEMBL1492580

CC(C)(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1ccccc1S(N)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.35
CYP3A4 P08684 2/20 0.35
APLNR P35414 2/20 0.34
CA2 P00918 6/20 0.33
CA1 P00915 4/20 0.32
CA5A P35218 3/20 0.32
CA9 Q16790 3/20 0.32
PTGES2 Q9H7Z7 2/20 0.31
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA12 O43570 1/20 0.30
CYP2C9 P11712 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
SLC22A12 Q96S37 2/20 0.30

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
SCHEMBL1492586 0.82 CA1 (0.32) APLNRCA2CA1CA5ACA9
SCHEMBL1716205 0.80 LMNA (0.32)
SCHEMBL1716203 0.80 LMNA (0.32)
SCHEMBL1633665 0.72 AHR (0.34)
SCHEMBL25181132 0.69 CA2 (0.44) NR3C1CYP3A4CA2CA1CA5A
SCHEMBL10407302 0.67 CA2 (0.45) NR3C1CYP3A4CA2CA1CA5A
SCHEMBL17093012 0.67 CA2 (0.52) CA2CA1CA5ACA9CA4
SCHEMBL15924841 0.66 CA2 (0.44) NR3C1CYP3A4CA2CA1CA5A
SCHEMBL302570 0.65 MEN1 (0.56) CA2CA1CA5ACA9PTGES2
SCHEMBL29418255 0.65 MEN1 (0.56) CA2CA1CA5ACA9PTGES2

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 7 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
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
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

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 360/4885APLNR 1365/4885

“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.