SCHEMBL1361755

SCHEMBL1361755

COC(=O)C(C)(C)C1(c2ccc3c(cnn3-c3ccc(F)cc3)c2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.49
NR3C1 P04150 13/20 0.48
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL3594874 0.91 SMO (0.48) SMONR3C1CYP11B1CYP11B2PGR
SCHEMBL1362821 0.90 NR3C1 (0.52) SMONR3C1
SCHEMBL13462529 0.83 SMO (0.45) SMONR3C1PGR
SCHEMBL1361611 0.81 NR3C1 (0.64) NR3C1PGR
SCHEMBL1362784 0.81 NR3C1 (0.63) SMONR3C1PGR
SCHEMBL3592691 0.80 NR3C1 (0.50) SMONR3C1
SCHEMBL3583930 0.79 NR3C1 (0.48) SMONR3C1
SCHEMBL1364079 0.77 NR3C1 (0.53) SMONR3C1CYP11B2PGR
SCHEMBL1361058 0.74 NR3C1 (0.64) SMONR3C1CYP11B1CYP11B2
SCHEMBL1360978 0.74 SMO (0.66) SMONR3C1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094692-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-11-28 EP disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
EP-2094692-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-02 EP disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 SMO 3308/4885NR3C1 11/4885CYP11B1 75/4885

“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.