SCHEMBL5800764

SCHEMBL5800764

CSc1ccc(OCc2ccccc2)c(C(C)(C)CC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.45
MRGPRX4 Q96LA9 3/20 0.44
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
PTGER1 P34995 2/20 0.43
S1PR1 P21453 1/20 0.39

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
SCHEMBL5779186 0.84 MRGPRX4 (0.49) MRGPRX4RXRARXRBRXRG
SCHEMBL5802094 0.82 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGS1PR1
SCHEMBL5778321 0.82 HPGD (0.40)
SCHEMBL5777462 0.80 GCK (0.44) GCKRXRARXRBRXRGPTGER1
SCHEMBL5774987 0.80 GCK (0.47) GCKMRGPRX4RXRARXRBRXRG
SCHEMBL5799293 0.80 GCK (0.41) GCKMRGPRX4RXRARXRBRXRG
SCHEMBL18618098 0.79 RXRA (0.48) GCKMRGPRX4RXRARXRBRXRG
SCHEMBL5814317 0.69 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGS1PR1
SCHEMBL1492561 0.69 CES1 (0.39)
SCHEMBL8154576 0.68 GCK (0.60) GCKPTGER1

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 GCK 1751/4885MRGPRX4 30/4885RXRA 616/4885

“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.