SCHEMBL1361907

SCHEMBL1361907

COC(=O)c1cc2cnn(-c3ccc(F)cc3)c2cc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
SMO Q99835 6/20 0.51
MAPK1 P28482 1/20 0.48
NR3C1 P04150 12/20 0.47
PGR P06401 3/20 0.46

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
SCHEMBL1361914 0.85 CYP11B1 (0.54) CYP11B1CYP11B2SMOMAPK1NR3C1
SCHEMBL1362100 0.79 NR3C1 (0.53) SMOMAPK1NR3C1PGR
SCHEMBL1362299 0.78 SMO (0.50) SMOMAPK1NR3C1PGR
SCHEMBL1363389 0.77 CYP11B1 (0.69) CYP11B1CYP11B2SMONR3C1PGR
SCHEMBL20167005 0.77 CYP11B1 (0.59) CYP11B1CYP11B2SMOMAPK1NR3C1
SCHEMBL1362733 0.76 SMO (0.55) SMOMAPK1NR3C1PGR
SCHEMBL1362699 0.74 SMO (0.50) SMOMAPK1NR3C1
SCHEMBL15826159 0.73 NR3C1 (0.51) SMOMAPK1NR3C1PGR
SCHEMBL1363292 0.73 NR3C1 (0.52) NR3C1PGR
SCHEMBL1135667 0.72 CCR1 (0.66) CYP11B1CYP11B2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CYP11B1 75/4885CYP11B2 163/4885SMO 3308/4885

“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.