SCHEMBL1634010

SCHEMBL1634010

CC(C)(CC(=O)C(F)(F)F)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.49
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CES1 P23141 2/20 0.39
KIF11 P52732 1/20 0.38
CES2 O00748 1/20 0.37
CASR P41180 1/20 0.37
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL11414904 0.78 PTPN1 (0.47) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1634091 0.78 CES2 (0.47) CES2SMN1; SMN2
SCHEMBL1635233 0.76 PDK1 (0.44) KCNH2CES1CES2KDM4ESMN1; SMN2
SCHEMBL1492520 0.75 CA1 (0.44) CES1HPGDSMN1; SMN2
SCHEMBL1634658 0.75 PLOD2 (0.49) CES1KDM4EHPGDSMN1; SMN2
SCHEMBL14258115 0.74 PTPN1 (0.46) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL9816470 0.74 ALDH1A1 (0.39) PTPN1KDM4ESMN1; SMN2
SCHEMBL11460391 0.73 PTPN1 (0.54) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL1634245 0.73 GRIN2D (0.46) CYP3A4CYP2D6KDM4ESMN1; SMN2
SCHEMBL29810589 0.73 PTPN1 (0.54) PTPN1CYP3A4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212040-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-7932392-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7553966-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
EP-1490062-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2007-12-19 EP disclosed
US-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20060189647-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
US-20050282881-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
US-6903215-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-20050059714-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-17 US disclosed
EP-1490317-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
EP-1490062-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-12 US disclosed
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003082787-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed
WO-2003082280-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 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 (5 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-20060189647-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and thereof NR3C1, NR3C2, MC2R PTPN1 766/4885CYP3A4 367/4885CYP2D6 690/4885
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PTPN1 770/4885CYP3A4 397/4885CYP2D6 446/4885
US-20050059714-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PTPN1 925/4885CYP3A4 415/4885CYP2D6 632/4885
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PTPN1 770/4885CYP3A4 397/4885CYP2D6 446/4885
US-20050282881-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PTPN1 717/4885CYP3A4 444/4885CYP2D6 783/4885

“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.