SCHEMBL4286875

SCHEMBL4286875

COc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)cc1C

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.62
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
MAOB P27338 1/20 0.44
MAP4K1 Q92918 1/20 0.42

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
SCHEMBL4281209 0.93 NR3C1 (0.61) NR3C1CYP11B1CYP11B2MAOBMAP4K1
SCHEMBL4283452 0.91 NR3C1 (0.62) NR3C1CYP11B1CYP11B2MAOBMAP4K1
SCHEMBL4285335 0.89 NR3C1 (0.62) NR3C1CYP11B1CYP11B2MAOB
SCHEMBL4273869 0.88 NR3C1 (0.61) NR3C1CYP11B1CYP11B2MAOBMAP4K1
SCHEMBL4277779 0.88 NR3C1 (0.69) NR3C1CYP11B1CYP11B2
SCHEMBL4275560 0.87 NR3C1 (0.68) NR3C1CYP11B1CYP11B2MAOBMAP4K1
SCHEMBL4286673 0.87 NR3C1 (0.66) NR3C1CYP11B1CYP11B2
SCHEMBL4278131 0.86 NR3C1 (0.61) NR3C1CYP11B1CYP11B2
SCHEMBL4274730 0.86 NR3C1 (0.66) NR3C1CYP11B1CYP11B2
SCHEMBL4282944 0.86 NR3C1 (0.58) NR3C1CYP11B1CYP11B2MAOB

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
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP claimed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 US claimed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO claimed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-15 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-20070060633-A1 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885CYP11B1 24/4885CYP11B2 40/4885

“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.