Sugi Predict

Sugi Predict / Compounds / SCHEMBL4157801

SCHEMBL4157801

SCHEMBL4157801

COc1ccc(-c2cccnc2)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2sccc21)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.46
▸ NR3C2 P08235 10/20 0.46
▸ PGR P06401 4/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ABCB1 P08183 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
SCHEMBL291797 0.89 NR3C1 (0.58) NR3C1NR3C2PGR
SCHEMBL4162966 0.84 NR3C1 (0.55) NR3C1NR3C2PGR
SCHEMBL293742 0.81 NR3C1 (0.57) NR3C1NR3C2PGR
SCHEMBL292424 0.80 NR3C1 (0.60) NR3C1NR3C2PGR
SCHEMBL291248 0.79 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL4162880 0.79 NR3C1 (0.39) NR3C1NR3C2PGREGFRFGFR1
SCHEMBL291686 0.77 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL292970 0.76 NR3C1 (0.72) NR3C1NR3C2PGR
SCHEMBL292472 0.76 NR3C1 (0.78) NR3C1NR3C2PGR
SCHEMBL291977 0.75 NR3C1 (0.54) NR3C1NR3C2PGR

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 claimed
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 — — US claimed
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
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 — — 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 (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 NR3C1 1/4885NR3C2 2/4885PGR 71/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885NR3C2 3/4885PGR 64/4885

“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.