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SCHEMBL2901539

SCHEMBL2901539

Cc1nnc(NC(=O)C(C)(C)C(CC(C)C)c2ccc(N3CCOCC3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.48
▸ NR3C1 P04150 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 2/20 0.38

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
SCHEMBL2893967 0.85 NR3C1 (0.57) NR3C1ALDH1A1HSD17B10
SCHEMBL2896433 0.83 NR3C1 (0.47) NR3C1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL12648044 0.79 ALDH1A1 (0.42) NR3C1ALDH1A1LRRK2CTSLCTSB
SCHEMBL12592398 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1CTSLCTSBCTSS
SCHEMBL2898743 0.71 NR3C1 (0.51) NR3C1ALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL2893200 0.69 NR3C1 (0.58) NR3C1
SCHEMBL14214847 0.68 NR3C1 (0.58) NR3C1LMNAMAPTTSHR
SCHEMBL2895661 0.67 NR3C1 (0.60) NR3C1
SCHEMBL14214854 0.67 NR3C1 (0.69) NR3C1
SCHEMBL12592839 0.67 NR3C1 (0.69) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
WO-2008057862-A2 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA PKM 2320/4885NR3C1 10/4885ALDH1A1 4179/4885

“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.