SCHEMBL3429593

SCHEMBL3429593

Cc1cc(C#N)cc(N)c1C#CCC(O)(CC1(C)CCOc2ccc(F)cc21)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.32
PGR P06401 2/20 0.32
NR3C2 P08235 2/20 0.32
AKR1B1 P15121 2/20 0.32

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
SCHEMBL3424234 0.89 NR3C1 (0.30) NR3C1PGRNR3C2
SCHEMBL3429546 0.88 AKR1B1 (0.33) NR3C1PGRNR3C2AKR1B1
SCHEMBL3424692 0.76 NR3C1 (0.54) NR3C1PGRNR3C2
SCHEMBL13160455 0.76 AKR1B1 (0.41) NR3C1PGRNR3C2AKR1B1
SCHEMBL6017889 0.76 PTGER4 (0.30)
SCHEMBL3427033 0.73 NR3C1 (0.52) NR3C1PGRNR3C2AKR1B1
SCHEMBL3426137 0.72 NR3C1 (0.48) NR3C1PGRNR3C2AKR1B1
SCHEMBL3421841 0.71 AKR1B1 (0.42) NR3C1PGRNR3C2AKR1B1
SCHEMBL4456598 0.69 AKR1B1 (0.45) NR3C1PGRNR3C2AKR1B1
SCHEMBL3426318 0.68 NR3C1 (0.43) NR3C1PGRNR3C2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795272-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-14 US disclosed
EP-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP disclosed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-15 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-20050203128-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 68/4885NR3C2 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.