SCHEMBL1635382

SCHEMBL1635382

O=C(CC1(c2cc(F)ccc2F)CC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.39
PSEN2 P49810 15/20 0.39
APH1B Q8WW43 15/20 0.39
NCSTN Q92542 15/20 0.39
APH1A Q96BI3 15/20 0.39
PSENEN Q9NZ42 15/20 0.39
PLOD2 O00469 1/20 0.38
AKR1B1 P15121 2/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL1633723 0.82 HTR2A (0.42) AKR1B1
SCHEMBL1633828 0.78 HSD11B1 (0.57) PLOD2HSD11B1
SCHEMBL3924833 0.70 HDAC3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3426749 0.69 AKR1B1 (0.55) AKR1B1
SCHEMBL4979190 0.67 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14263409 0.66 CES2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19831806 0.66 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4831354 0.66 ELOVL1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23231961 0.65 CA9 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5117814 0.65 PLOD2 (0.59) PLOD2CES2CES1

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 11 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
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

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 PSEN1 283/4885PSEN2 638/4885APH1B 4114/4885
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PSEN1 431/4885PSEN2 1186/4885APH1B 3025/4885
US-20050059714-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PSEN1 446/4885PSEN2 914/4885APH1B 3057/4885
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PSEN1 431/4885PSEN2 1186/4885APH1B 3025/4885
US-20050282881-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PSEN1 322/4885PSEN2 694/4885APH1B 3803/4885

“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.