SCHEMBL753726

SCHEMBL753726

C[C@@H](C(=O)Nc1nncs1)[C@H](c1cccc(F)c1)c1ccc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.42
PGR P06401 2/20 0.42
AR P10275 2/20 0.42
FFAR2 O15552 1/20 0.36
ADORA2A P29274 2/20 0.36
P2RX7 Q99572 1/20 0.34
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL751387 0.94 NR3C1 (0.42) NR3C1PGRARFFAR2KMT2A
SCHEMBL752374 0.94 NR3C1 (0.42) NR3C1PGRARFFAR2KMT2A
SCHEMBL753522 0.94 NR3C1 (0.42) NR3C1PGRARFFAR2KMT2A
SCHEMBL751845 0.94 NR3C1 (0.42) NR3C1PGRARFFAR2KMT2A
SCHEMBL753500 0.93 NR3C1 (0.46) NR3C1PGRARADORA2A
SCHEMBL752781 0.91 NR3C1 (0.45) NR3C1PGRARADORA2ASCN9A
SCHEMBL752257 0.90 NR3C1 (0.44) NR3C1PGRARADORA2AMEN1
SCHEMBL753084 0.87 NR3C1 (0.43) NR3C1PGRARFFAR2
SCHEMBL754551 0.87 NR3C1 (0.43) NR3C1PGRARFFAR2
SCHEMBL751825 0.87 NR3C1 (0.43) NR3C1PGRARFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 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 (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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA NR3C1 1/4885PGR 2359/4885AR 162/4885

“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.