SCHEMBL3589556

SCHEMBL3589556

N#CC=C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.55
SMO Q99835 1/20 0.52
PGR P06401 5/20 0.51
MGLL Q99685 1/20 0.44

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
SCHEMBL3589554 1.00 NR3C1 (0.55) NR3C1SMOPGRMGLL
SCHEMBL1362880 0.79 SMO (0.56) NR3C1SMOPGR
SCHEMBL1362881 0.79 SMO (0.56) NR3C1SMOPGR
SCHEMBL1362678 0.79 SMO (0.64) NR3C1SMOPGRMGLL
SCHEMBL1361119 0.79 NR3C1 (0.62) NR3C1SMOPGRMGLL
SCHEMBL1362909 0.78 NR3C1 (0.60) NR3C1SMOPGRMGLL
SCHEMBL3856628 0.77 NR3C1 (0.60) NR3C1SMOPGR
SCHEMBL16596002 0.73 NR3C1 (0.58) NR3C1SMOPGRMGLL
SCHEMBL27787801 0.73 NR3C1 (0.61) NR3C1SMOPGR
SCHEMBL22805865 0.72 NR3C1 (0.59) NR3C1SMOPGR

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-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-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-2099767-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- B ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008057857-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 NR3C1 5/4885SMO 1265/4885PGR 1720/4885

“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.