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SCHEMBL750652

SCHEMBL750652

C[C@@H](C(=O)Nc1nncs1)[C@H](c1cccc(F)c1)c1ccc(-c2ccc(C(=O)N3CCC(F)(F)C3)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 6/20 0.41
▸ PGR P06401 2/20 0.41
▸ AR P10275 1/20 0.41
▸ LIPC P11150 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CYP3A4 P08684 7/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ USP2 O75604 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33

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
SCHEMBL752257 0.90 NR3C1 (0.44) NR3C1PGRARABL1BCR
SCHEMBL754373 0.88 NR3C1 (0.44) NR3C1PGRARABL1BCR
SCHEMBL753464 0.88 NR3C1 (0.44) NR3C1PGRARABL1BCR
SCHEMBL753750 0.88 NR3C1 (0.44) NR3C1PGRARABL1BCR
SCHEMBL754343 0.86 NR3C1 (0.45) NR3C1PGRAR
SCHEMBL10332089 0.83 NR3C1 (0.47) NR3C1PGRARTSHRLMNA
SCHEMBL752912 0.83 NR3C1 (0.44) NR3C1PGRARLMNA
SCHEMBL753755 0.83 NR3C1 (0.44) NR3C1PGRARLMNA
SCHEMBL752908 0.83 NR3C1 (0.44) NR3C1PGRARLMNA
SCHEMBL753604 0.83 NR3C1 (0.44) NR3C1PGRARLMNA

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.