SCHEMBL752599

SCHEMBL752599

C[C@@H](C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.49
PGR P06401 3/20 0.49
AR P10275 2/20 0.49
HTT P42858 2/20 0.45
FFAR2 O15552 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL753544 1.00 NR3C1 (0.49) NR3C1PGRARHTTFFAR2
SCHEMBL754437 1.00 NR3C1 (0.49) NR3C1PGRARHTTFFAR2
SCHEMBL753114 0.88 NR3C1 (0.49) NR3C1PGRARHTTFFAR2
SCHEMBL751722 0.88 NR3C1 (0.49) NR3C1PGRARHTTFFAR2
SCHEMBL752890 0.88 NR3C1 (0.49) NR3C1PGRARHTTFFAR2
SCHEMBL750299 0.88 NR3C1 (0.49) NR3C1PGRARHTTFFAR2
SCHEMBL750966 0.88 NR3C1 (0.49) NR3C1PGRARHTTFFAR2
SCHEMBL14207513 0.88 NR3C1 (0.50) NR3C1PGRARHTTFFAR2
SCHEMBL752593 0.79 NR3C1 (0.44) NR3C1PGRARHTTFFAR2
SCHEMBL753459 0.79 NR3C1 (0.44) NR3C1PGRARHTTFFAR2

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.