Sugi Predict

Sugi Predict / Compounds / SCHEMBL2901337

SCHEMBL2901337

SCHEMBL2901337

CC(C)(C(=O)Nc1nc(-c2cccc(F)c2)cs1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.53
▸ ROCK1 Q13464 3/20 0.53
▸ NR3C1 P04150 11/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ SIRT5 Q9NXA8 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PGR P06401 3/20 0.49
▸ AR P10275 3/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48

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 0.89 NR3C1 (0.60) ROCK2ROCK1NR3C1HDAC1HDAC6
SCHEMBL2898070 0.88 NR3C1 (0.53) NR3C1MEN1KMT2AMAPTALDH1A1
SCHEMBL2899028 0.88 LMNA (0.57) NR3C1HDAC1HDAC6HDAC9MEN1
SCHEMBL2898966 0.88 LMNA (0.60) ROCK2ROCK1NR3C1HDAC1HDAC6
SCHEMBL2899220 0.88 MEN1 (0.56) NR3C1MEN1KMT2AALDH1A1PGR
SCHEMBL2899850 0.88 ABL1 (0.64) ROCK2ROCK1NR3C1MEN1KMT2A
SCHEMBL2901927 0.86 MEN1 (0.67) ROCK2ROCK1NR3C1MEN1KMT2A
SCHEMBL2898015 0.85 ABL1 (0.56) NR3C1MEN1KMT2AMAPTALDH1A1
SCHEMBL2898944 0.84 KMT2A (0.74) HDAC1HDAC6HDAC9MEN1KMT2A
SCHEMBL2900271 0.84 NR3C1 (0.64) ROCK2ROCK1NR3C1HDAC1HDAC6

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 ROCK2 4174/4885ROCK1 3533/4885NR3C1 10/4885

“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.