Sugi Predict

Sugi Predict / Compounds / SCHEMBL2901322

SCHEMBL2901322

SCHEMBL2901322

CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ ABL1 P00519 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ NR3C1 P04150 5/20 0.55
▸ GSTO1 P78417 1/20 0.53
▸ ALOX5 P09917 1/20 0.51
▸ ROCK2 O75116 4/20 0.51
▸ ROCK1 Q13464 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PGR P06401 1/20 0.50
▸ AR P10275 1/20 0.50
▸ USP2 O75604 1/20 0.50

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
SCHEMBL2901438 0.92 NR3C1 (0.60) ALDH1A1NR3C1GSTO1ROCK2ROCK1
SCHEMBL2900884 0.90 NR3C1 (0.56) MEN1KMT2AALDH1A1NR3C1GSTO1
SCHEMBL2898966 0.89 LMNA (0.60) MEN1KMT2AALDH1A1NR3C1ROCK2
SCHEMBL2899850 0.88 ABL1 (0.64) MEN1KMT2AABL1ALDH1A1NR3C1
SCHEMBL2900271 0.87 NR3C1 (0.64) NR3C1ALOX5ROCK2ROCK1MAPT
SCHEMBL2902185 0.86 ABL1 (0.63) MEN1KMT2AABL1NR3C1MAPT
SCHEMBL2899220 0.86 MEN1 (0.56) MEN1KMT2AABL1ALDH1A1NR3C1
SCHEMBL2896407 0.85 NR3C1 (0.62) MEN1KMT2AALDH1A1NR3C1GSTO1
SCHEMBL2901492 0.84 GSTO1 (0.57) MEN1KMT2AALDH1A1NR3C1GSTO1
SCHEMBL2899028 0.84 LMNA (0.57) MEN1KMT2AALDH1A1NR3C1MAPT

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 MEN1 3339/4885KMT2A 2852/4885ABL1 4089/4885

“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.