Sugi Predict

Sugi Predict / Compounds / SCHEMBL2901438

SCHEMBL2901438

SCHEMBL2901438

CC(C)(C(=O)Nc1nc(-c2ccccc2)cs1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 5/20 0.60
▸ ROCK2 O75116 6/20 0.56
▸ ROCK1 Q13464 6/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ AR P10275 1/20 0.55
▸ GSTO1 P78417 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54

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
SCHEMBL2900271 0.94 NR3C1 (0.64) NR3C1ROCK2ROCK1HDAC3HDAC4
SCHEMBL2896407 0.93 NR3C1 (0.62) NR3C1ROCK2ROCK1HDAC3HDAC4
SCHEMBL2900884 0.93 NR3C1 (0.56) NR3C1ROCK2ROCK1MAPTPGR
SCHEMBL2898966 0.92 LMNA (0.60) NR3C1ROCK2ROCK1HDAC3HDAC4
SCHEMBL2899028 0.92 LMNA (0.57) NR3C1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2901322 0.92 MEN1 (0.60) NR3C1ROCK2ROCK1MAPTPGR
SCHEMBL2898047 0.91 HDAC3 (0.53) NR3C1ROCK2ROCK1HDAC3HDAC4
SCHEMBL2898015 0.91 ABL1 (0.56) NR3C1MAPTPGRARALDH1A1
SCHEMBL12592629 0.91 NR3C1 (0.66) NR3C1ROCK2ROCK1MAPTADORA3
SCHEMBL2893013 0.90 NR3C1 (0.64) NR3C1ROCK2ROCK1MAPTADORA3

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 10/4885ROCK2 4174/4885ROCK1 3533/4885

“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.