Sugi Predict

Sugi Predict / Compounds / SCHEMBL2898765

SCHEMBL2898765

SCHEMBL2898765

COc1cccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 6/20 0.51
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ROCK1 Q13464 3/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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 0.93 NR3C1 (0.60) NR3C1KMT2AMEN1ALDH1A1ROCK1
SCHEMBL2892628 0.92 NR3C1 (0.54) NR3C1KMT2AMEN1ALDH1A1ROCK1
SCHEMBL2901569 0.91 NR3C1 (0.56) NR3C1KMT2AMEN1ALDH1A1ROCK1
SCHEMBL2899056 0.91 MEN1 (0.54) NR3C1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2901237 0.88 TYR (0.49) NR3C1KMT2AMEN1MAPT
SCHEMBL12592604 0.88 ALDH1A1 (0.60) NR3C1KMT2AMEN1ALDH1A1ROCK1
SCHEMBL2901295 0.86 MEN1 (0.56) NR3C1KMT2AMEN1ALDH1A1ROCK1
SCHEMBL2893511 0.86 MAPT (0.47) NR3C1KMT2AMEN1ALDH1A1MAPT
SCHEMBL2900712 0.86 NR3C1 (0.58) NR3C1KMT2AMEN1MAPT
SCHEMBL2901927 0.85 MEN1 (0.67) NR3C1KMT2AMEN1ALDH1A1ROCK1

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 10/4885KMT2A 2852/4885MEN1 3339/4885

“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.