SCHEMBL5779030

SCHEMBL5779030

CSc1cc2c(c(C(C)(C)CC(=O)C(F)F)c1)OCC2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
DRD2 P14416 1/20 0.34
PARP1 P09874 1/20 0.33
NR3C1 P04150 15/20 0.33
NR3C2 P08235 14/20 0.33
PGR P06401 11/20 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
SCHEMBL4154304 0.85 PTGS1 (0.38) PTGS1PTGS2DRD2PARP1NR3C1
SCHEMBL5776633 0.83 NR3C1 (0.43) PTGS1PTGS2PARP1NR3C1NR3C2
SCHEMBL5814888 0.83 NR3C1 (0.46) PTGS1PTGS2PARP1NR3C1NR3C2
SCHEMBL5778225 0.81 NR3C1 (0.49) PTGS1PTGS2PARP1NR3C1NR3C2
SCHEMBL5779023 0.78 NR3C1 (0.35) PTGS1PTGS2DRD2NR3C1NR3C2
SCHEMBL6226890 0.77 PTGS1 (0.37) PTGS1PTGS2DRD2PARP1NR3C1
SCHEMBL4467721 0.74 NR3C1 (0.47) PTGS1PTGS2DRD2NR3C1NR3C2
SCHEMBL5779024 0.74 PTGS1 (0.32) PTGS1PTGS2DRD2NR3C1NR3C2
SCHEMBL4167063 0.72 NR3C1 (0.33) PTGS1PTGS2NR3C1NR3C2PGR
SCHEMBL1634226 0.68 NR3C1 (0.48) PTGS1PTGS2PARP1NR3C1NR3C2

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 PTGS1 146/4885PTGS2 524/4885DRD2 3385/4885

“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.