Sugi Predict

Sugi Predict / Compounds / SCHEMBL4167085

SCHEMBL4167085

SCHEMBL4167085

CC(C)(CC(=O)C(F)(F)F)c1cc(-c2cccnc2)cc2c1OCC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ NR3C1 P04150 5/20 0.40
▸ PGR P06401 5/20 0.40
▸ NR3C2 P08235 5/20 0.40
▸ CYP11B2 P19099 8/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ ERN1 O75460 1/20 0.38
▸ CYP11B1 P15538 4/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ PLOD2 O00469 1/20 0.36
▸ PLOD3 O60568 1/20 0.36
▸ PLOD1 Q02809 1/20 0.36

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
SCHEMBL1635036 0.77 PARP1 (0.48) NR3C1PGRNR3C2
SCHEMBL1492536 0.76 NR3C1 (0.48) NR3C1PGRNR3C2
SCHEMBL1633800 0.76 NR3C1 (0.48) NR3C1PGRNR3C2
SCHEMBL4442883 0.74 NR3C1 (0.39) CYP1A2HTR2AHTR2CHTR2BNR3C1
SCHEMBL4154304 0.74 PTGS1 (0.38) NR3C1PGRNR3C2
SCHEMBL5523272 0.73 NR3C1 (0.51) NR3C1PGRNR3C2
SCHEMBL5777309 0.73 NR3C1 (0.52) NR3C1PGRNR3C2
SCHEMBL292631 0.73 NR3C1 (0.49) CYP1A2HTR2AHTR2CHTR2BNR3C1
SCHEMBL5780728 0.72 NR3C1 (0.43) NR3C1PGRNR3C2
SCHEMBL6384571 0.72 NR3C1 (0.52) NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 — — US disclosed
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 — — US disclosed
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 — — US disclosed
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 — — EP disclosed
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 — — US disclosed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 — — 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 (2 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-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF NR3C1, NR3C2, MC2R CYP1A2 764/4885HTR2A 1645/4885HTR2C 1461/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 CYP1A2 740/4885HTR2A 1541/4885HTR2C 1350/4885

“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.