SCHEMBL5776633

SCHEMBL5776633

CC(C)(CC(=O)C(F)F)c1cc(Cl)cc2c1OCC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.43
NR3C2 P08235 8/20 0.43
PGR P06401 7/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RIPK1 Q13546 2/20 0.35
PARP1 P09874 1/20 0.35
HTR3A P46098 1/20 0.34

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
SCHEMBL5814888 0.85 NR3C1 (0.46) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL1492536 0.84 NR3C1 (0.48) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5779030 0.83 PTGS1 (0.37) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5778225 0.82 NR3C1 (0.49) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL25952453 0.74 PTGS1 (0.49) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL4823422 0.73 NR3C1 (0.52) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5779656 0.73 NR3C1 (0.46) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5355518 0.71 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL5355509 0.71 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2
SCHEMBL27686496 0.71 NR3C1 (0.43) NR3C1NR3C2PGRPTGS1PTGS2

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-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 95/4885

“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.