Sugi Predict

Sugi Predict / Compounds / SCHEMBL2901569

SCHEMBL2901569

SCHEMBL2901569

COc1ccc(C(c2ccc(OC)cc2)C(C)(C)C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 4/20 0.56
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ ADORA3 P0DMS8 2/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ AMY1A P0DUB6 1/20 0.44
▸ APP P05067 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2901404 0.98 NR3C1 (0.60) NR3C1MEN1KMT2AMAPTADORA3
SCHEMBL2898765 0.91 NR3C1 (0.51) NR3C1MEN1KMT2AMAPTROCK2
SCHEMBL2899056 0.90 MEN1 (0.54) NR3C1MEN1KMT2AMAPTALDH1A1
SCHEMBL2892628 0.90 NR3C1 (0.54) NR3C1MEN1KMT2AMAPTADORA3
SCHEMBL2899345 0.89 NR3C1 (0.54) NR3C1MEN1KMT2AMAPTALDH1A1
SCHEMBL2901142 0.88 MEN1 (0.51) NR3C1MEN1KMT2AMAPTALDH1A1
SCHEMBL2900712 0.87 NR3C1 (0.58) NR3C1MEN1KMT2AMAPT
SCHEMBL2893511 0.86 MAPT (0.47) NR3C1MEN1KMT2AMAPTLMNA
SCHEMBL2893013 0.85 NR3C1 (0.64) NR3C1MEN1KMT2AMAPTADORA3
SCHEMBL2901719 0.85 MEN1 (0.48) NR3C1MEN1KMT2AMAPTALDH1A1

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 6 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

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 NR3C1 10/4885MEN1 3339/4885KMT2A 2852/4885

“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.